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CHEBI:201710 - Kazusamycin A

ChEBI IDCHEBI:201710
ChEBI NameKazusamycin A
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SubmitterMetaboLights
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FormulaC33H48O7
Net Charge0
Average Mass556.740
Monoisotopic Mass556.34000
SMILESCCC(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/C33H48O7/c1-8-27(13-14-29-24(5)12-15-31(37)40-29)17-21(2)10-9-11-22(3)18-28(20-34)33(39)26(7)32(38)25(6)16-23(4)19-30(35)36/h9,11-15,17-19,21,24-26,28-29,32,34,38H,8,10,16,20H2,1-7H3,(H,35,36)
InChIKeyKZMHNEBMQDBQND-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 A (CHEBI:201710) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(2E,10E,12E,16E,18E)-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
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