ChEBI

CHEBI:226629 - 2-[[(5Z,7E,10E)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1H-indol-3-yl)propanoic acid

ChEBI Name 2-[[(5Z,7E,10E)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1H-indol-3-yl)propanoic acid ChEBI ID CHEBI:226629 Stars This entity has been manually annotated by a third party. Submitter MetaboLights Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C40H49N3O6 Net Charge 0 Average Mass 667.847 Monoisotopic Mass 667.36214 InChI InChI=1S/C40H49N3O6/c1-4-26(20-27-16-18-30-24(2)15-17-32(30)37(27)39(47)34-14-9-19-41-34)38(46)25(3)10-5-6-11-29(44)22-36(45)43-35(40(48)49)21-28-23-42-33-13-8-7-12-31(28)33/h5-10,12-14,16,18-20,23-24,27,29-30,32,35,37-38,41-42,44,46H,4,11,15,17,21-22H2,1-3H3,(H,43,45)(H,48,49)/b6-5-,25-10+,26-20+ InChIKey SXROOCSLGHPGOI-UHHUNHFOSA-N SMILES O=C(C=1NC=CC1)C2C(C=CC3C2CCC3C)/C=C(/C(O)/C(=C/C=C\CC(O)CC(=O)NC(C(=O)O)CC=4C5=C(C=CC=C5)NC4)/C)\CC Metabolite of Species Details Streptomyces viridochromogenes (NCBI:txid1938) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-[[(5Z,7E,10E)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1H-indol-3-yl)propanoic acid (CHEBI:226629) is a N-acyl-amino acid (CHEBI:51569) IUPAC Name 2-[[(5Z,7E,10E)-3,9-dihydroxy-8-methyl-10-[[1-methyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methylidene]dodeca-5,7-dienoyl]amino]-3-(1H-indol-3-yl)propanoic acid Manual Xref Database 28285376 ChemSpider View more database links