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CHEBI:217410 - Atacamycin C

ChEBI IDCHEBI:217410
ChEBI NameAtacamycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O4
Net Charge0
Average Mass454.651
Monoisotopic Mass454.30831
SMILESCC/C=C/C1C/C=C/C=C\C(OC)CC(O)C(C)/C=C/CC(C)/C=C/C=C(C)/C=C/C(=O)O1
InChIInChI=1S/C29H42O4/c1-6-7-17-26-18-9-8-10-19-27(32-5)22-28(30)25(4)16-12-15-23(2)13-11-14-24(3)20-21-29(31)33-26/h7-14,16-17,19-21,23,25-28,30H,6,15,18,22H2,1-5H3/b9-8+,13-11+,16-12+,17-7+,19-10-,21-20+,24-14+
InChIKeyCKCNVLQCNLEZSB-VJKIWBRUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies C38 (ncbitaxon:531952) - PubMed (22008702)
ChEBI Ontology
Outgoing Relation(s)
Atacamycin C (CHEBI:217410) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5E,7E,11E,17Z,19E)-22-[(E)-but-1-enyl]-14-hydroxy-16-methoxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one
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78444667ChemSpider