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Ontologies
EFO
Last submission date
March 29, 2025
| ID | http://purl.obolibrary.org/obo/CHEBI_28001
http://purl.obolibrary.org/obo/CHEBI_28001
https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_28001
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| Preferred name | vancomycin |
| Synonyms |
VANCOMYCIN
Vancomycin
(3S,6R,7R,11R,23S,26S,30aS,36R,38aR)-44-[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-(N-methyl-D-leucyl)-2,5,24,38,39-pentaoxo-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid
Vancocin
vancomicin
vancomicina
vancomycin
vancomycine
vancomycinum
(2.2Sp,3.5Sa,2.6Sp)-O(4.2),C(3.4):C(5.4),O(4.6):C(3.5),C(2.7)-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine]
(1S,2R,18R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
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| Definitions |
A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.
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Raw data
| rdf:type | |
|---|---|
| rdfs:subClassOf | |
| rdfs:label | vancomycin
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| skos:notation | CHEBI:28001
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| obo_purl:IAO_0000115 | A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.
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| oboinowl_gen:hasExactSynonym | VANCOMYCIN
Vancomycin
(3S,6R,7R,11R,23S,26S,30aS,36R,38aR)-44-[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-(N-methyl-D-leucyl)-2,5,24,38,39-pentaoxo-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid
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| oboinowl_gen:hasDbXref | PMID:15081082
CAS:1404-90-6
DrugBank:DB00512
Drug_Central:2807
KEGG:C06689
KEGG:D00212
KNApSAcK:C00016052
MeSH:D014640
MetaCyc:CPD-12245
NCIt:C925
PDBeChem:VAN
PMID:11028184
PMID:11408222
PMID:11688538
PMID:11864951
PMID:11886013
PMID:11980329
PMID:12019070
PMID:12541895
PMID:12852813
PMID:13370625
PMID:13521912
PMID:14605050
PMID:14702667
PMID:15047516
PMID:15465645
PMID:15590714
PMID:15792257
PMID:16183423
PMID:16184232
PMID:16420976
PMID:16596002
PMID:16720708
PMID:17027219
PMID:17184835
PMID:17299012
PMID:17594206
PMID:18030187
PMID:18159039
PMID:18162343
PMID:18260149
PMID:18361944
PMID:18462092
PMID:18582342
PMID:18817166
PMID:18983037
PMID:19107100
PMID:19830166
PMID:20956604
PMID:21109901
PMID:21458937
PMID:21466775
PMID:21664803
PMID:21719238
PMID:21951032
PMID:22011388
PMID:22015328
PMID:22027450
PMID:22124537
Patent:US3067099
Reaxys:3132
SNOMEDCT:372735009
SNOMEDCT:42082003
Wikipedia:Vancomycin
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| oboinowl_gen:hasOBONamespace | chebi_ontology
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| oboinowl_gen:id | CHEBI:28001
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| oboinowl_gen:inSubset | |
| oboinowl_gen:hasRelatedSynonym | Vancocin
vancomicin
vancomicina
vancomycin
vancomycine
vancomycinum
(2.2Sp,3.5Sa,2.6Sp)-O(4.2),C(3.4):C(5.4),O(4.6):C(3.5),C(2.7)-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine]
(1S,2R,18R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
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| oboinowl_gen:hasAlternativeId | CHEBI:27276
CHEBI:49941
CHEBI:9931
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| obo_purl:charge | 0
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| obo_purl:formula | C66H75Cl2N9O24
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| obo_purl:inchi | InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
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| obo_purl:inchikey | MYPYJXKWCTUITO-LYRMYLQWSA-N
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| obo_purl:mass | 1449.25336
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| obo_purl:monoisotopicmass | 1447.43020
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| obo_purl:smiles | CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2
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