CHEBI:226190 - Herbimycin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Herbimycin D
ChEBI ID CHEBI:226190
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H45N3O9S
Net Charge 0
Average Mass 647.780
Monoisotopic Mass 647.28765
InChI InChI=1S/C32H45N3O9S/c1-16-10-9-11-22(40-5)29(44-32(33)39)18(3)12-17(2)28(43-8)23(41-6)13-19(4)27(42-7)20-14-21-30(45-15-24(36)34-21)25(26(20)37)35-31(16)38/h9-12,14,17,19,22-23,27-29,37H,13,15H2,1-8H3,(H2,33,39)(H,34,36)(H,35,38)/b11-9-,16-10-,18-12-/t17-,19-,22-,23-,27+,28+,29-/m0/s1
InChIKey GYBQYXANPDPLKQ-QVTLGQBVSA-N
SMILES S1C2=C3NC(=O)C(=CC=C[C@H](OC)[C@@H](OC(=O)N)C(C)=C[C@@H]([C@H]([C@H](C[C@@H]([C@H](C(=C3O)C=C2NC(C1)=O)OC)C)OC)OC)C)C
Metabolite of Species Details
Streptomycesspecies RM-7-15 (NCBI:txid1368692) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via benzothiazine )
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ChEBI Ontology
Outgoing Herbimycin D (CHEBI:226190) is a benzothiazine (CHEBI:46899)
IUPAC Name
[(2R,3S,5S,6R,7S,8Z,10S,11S,12Z,14Z)-26-hydroxy-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-16,22-dioxo-20-thia-17,23-diazatricyclo[16.7.1.019,24]hexacosa-1(25),8,12,14,18(26),19(24)-hexaen-10-yl] carbamate
Manual Xref Database
78440440 ChemSpider
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