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CHEBI:226452 - Atacamycin B

ChEBI IDCHEBI:226452
ChEBI NameAtacamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O5
Net Charge0
Average Mass470.650
Monoisotopic Mass470.30322
SMILESCC/C=C/C1C/C=C/C=C\C(OC)C(O)C(O)C(C)/C=C/CC(C)/C=C/C=C(C)/C=C/C(=O)O1
InChIInChI=1S/C29H42O5/c1-6-7-17-25-18-9-8-10-19-26(33-5)29(32)28(31)24(4)16-12-15-22(2)13-11-14-23(3)20-21-27(30)34-25/h7-14,16-17,19-22,24-26,28-29,31-32H,6,15,18H2,1-5H3/b9-8+,13-11+,16-12+,17-7+,19-10-,21-20+,23-14+
InChIKeyYHRYKMQBQALRPC-FGTAZQSTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies C38 (ncbitaxon:531952) - PubMed (22008702)
ChEBI Ontology
Outgoing Relation(s)
Atacamycin B (CHEBI:226452) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5E,7E,11E,17Z,19E)-22-[(E)-but-1-enyl]-14,15-dihydroxy-16-methoxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one
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78444675ChemSpider