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CHEBI:201496 - Kazusamycin B

ChEBI IDCHEBI:201496
ChEBI NameKazusamycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O7
Net Charge0
Average Mass542.713
Monoisotopic Mass542.32435
SMILESCC(C=CC1OC(=O)C=CC1C)=CC(C)CC=CC(C)=CC(CO)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O
InChIInChI=1S/C32H46O7/c1-20(15-22(3)11-13-28-24(5)12-14-30(36)39-28)9-8-10-21(2)17-27(19-33)32(38)26(7)31(37)25(6)16-23(4)18-29(34)35/h8,10-15,17-18,20,24-28,31,33,37H,9,16,19H2,1-7H3,(H,34,35)
InChIKeyOOQHBJFDAPXZJM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Kazusamycin B (CHEBI:201496) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(2E,10E,12E,16Z,18E)-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15,17-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
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