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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 IDCHEBI:226629
ChEBI Name2-[[(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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H49N3O6
Net Charge0
Average Mass667.847
Monoisotopic Mass667.36214
SMILESCC/C(=C\C1C=CC2C(C)CCC2C1C(=O)c1cccn1)C(O)/C(C)=C/C=C\CC(O)CC(=O)NC(Cc1cnc2ccccc12)C(=O)O
InChIInChI=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+
InChIKeySXROOCSLGHPGOI-UHHUNHFOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces viridochromogenes (ncbitaxon:1938) - PubMed (18654000)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
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