CHEBI:155854 - 4-[(2E,7S,8E,10E,13R,14R,16E,18E)-14-ethyl-7,13-dihydroxy-2,16,18-trimethylicosa-2,8,10,16,18-pentaenoyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate

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ChEBI Name 4-[(2E,7S,8E,10E,13R,14R,16E,18E)-14-ethyl-7,13-dihydroxy-2,16,18-trimethylicosa-2,8,10,16,18-pentaenoyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate
ChEBI ID CHEBI:155854
ChEBI ASCII Name 4-[(2E,7S,8E,10E,13R,14R,16E,18E)-14-ethyl-7,13-dihydroxy-2,16,18-trimethylicosa-2,8,10,16,18-pentaenoyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate
Definition Intermediate in the biosynthesis of pyrroindomycin antibiotics. Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C30H42NO5
Net Charge -1
Average Mass 496.669
Monoisotopic Mass 496.30685
InChI InChI=1S/C30H43NO5/c1-7-20(3)18-21(4)19-24(8-2)26(33)17-11-9-10-15-25(32)16-13-12-14-22(5)28(34)27-29(35)23(6)31-30(27)36/h7,9-11,14-15,18,24-26,32-33,35H,6,8,12-13,16-17,19H2,1-5H3,(H,31,36)/p-1/b11-9+,15-10+,20-7+,21-18+,22-14+/t24-,25-,26-/m1/s1
InChIKey FCGZEXQWFXATHB-NGHADPOJSA-M
SMILES C/C=C(/C=C(/C[C@H]([C@H](O)C/C=C/C=C/[C@H](CCC/C=C(/C(C1=C(C(NC1=O)=C)[O-])=O)\C)O)CC)\C)\C
ChEBI Ontology
Outgoing 4-[(2E,7S,8E,10E,13R,14R,16E,18E)-14-ethyl-7,13-dihydroxy-2,16,18-trimethylicosa-2,8,10,16,18-pentaenoyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate (CHEBI:155854) is a pyrroles (CHEBI:26455)
Synonym Source
4-[(2E,7S,8E,10E,13R,14R,16E,18E)-14-ethyl-7,13-dihydroxy-2,16,18-trimethylicosa-2,8,10,16,18-pentaenoyl]-2-methylidene-5-oxo-2,5-dihydro-1H-pyrrol-3-olate UniProt
Citations Waiting for Citations Types Sources
25730548 PubMed citation SUBMITTER
29657086 PubMed citation SUBMITTER