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CHEBI:210210 - Albogrisin C′

ChEBI IDCHEBI:210210
ChEBI NameAlbogrisin C′
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32N4O8
Net Charge0
Average Mass516.551
Monoisotopic Mass516.22201
SMILESCNC(=O)[C@H]1[C@@H](OC)C2(O)c3ccccc3NC(=O)[C@@]2(C(=O)N[C@@H](CCC(=O)O)C(=O)C=C(C)C)N1C
InChIInChI=1S/C25H32N4O8/c1-13(2)12-17(30)16(10-11-18(31)32)28-23(35)24-22(34)27-15-9-7-6-8-14(15)25(24,36)20(37-5)19(29(24)4)21(33)26-3/h6-9,12,16,19-20,36H,10-11H2,1-5H3,(H,26,33)(H,27,34)(H,28,35)(H,31,32)/t16-,19+,20+,24-,25?/m0/s1
InChIKeyYEYKINSCCMSNJC-ZMTSPPIWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31613107)
ChEBI Ontology
Outgoing Relation(s)
Albogrisin C′ (CHEBI:210210) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(4S)-4-[[(1R,2R,3aR)-9b-hydroxy-1-methoxy-3-methyl-2-(methylcarbamoyl)-4-oxo-2,5-dihydro-1H-pyrrolo[2,3-c]quinoline-3a-carbonyl]amino]-7-methyl-5-oxooct-6-enoic acid
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