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CHEBI:194489 - pseudomonic acid C—holothin

ChEBI IDCHEBI:194489
ChEBI Namepseudomonic acid C—holothin
Stars
ASCII Namepseudomonic acid C--holothin
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H46N2O8S2
Net Charge0
Average Mass638.849
Monoisotopic Mass638.26956
SMILESC/C(=C\C(=O)OCCCCCCCCC(=O)Nc1c2sscc-2nc1=O)C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C31H46N2O8S2/c1-19(15-24-29(38)28(37)22(17-41-24)12-10-11-20(2)21(3)34)16-26(36)40-14-9-7-5-4-6-8-13-25(35)33-27-30-23(18-42-43-30)32-31(27)39/h10-11,16,18,20-22,24,28-29,34,37-38H,4-9,12-15,17H2,1-3H3,(H,32,39)(H,33,35)/b11-10+,19-16+/t20-,21+,22+,24+,28-,29+/m1/s1
InChIKeyIWXUKMUCNIDVNW-TZXPVZFCSA-N
ChEBI Ontology
Outgoing Relation(s)
pseudomonic acid C—holothin (CHEBI:194489) is a enoate ester (CHEBI:51702)
pseudomonic acid C—holothin (CHEBI:194489) is a lactam (CHEBI:24995)
pseudomonic acid C—holothin (CHEBI:194489) is a organosulfur heterocyclic compound (CHEBI:38106)
UniProt Name  Source
pseudomonic acid C—holothinUniProt
Citations