4-[[[(3S,6R,7S,8aS)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium (CHEBI:125197)

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CHEBI:125197 - 4-[[[(3S,6R,7S,8aS)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium

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ChEBI ID	CHEBI:125197
ChEBI Name	4-[[[(3S,6R,7S,8aS)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium
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Formula	C27H42N5O5
Net Charge	+1
Average Mass	516.663
Monoisotopic Mass	516.31805
SMILES	CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](C(=O)NCCCC[N+](C)(C)C)[C@H](c3ccc(O)cc3)N2C1=O
InChI	InChI=1S/C27H41N5O5/c1-18(33)28-14-6-5-9-22-27(37)31-23(26(36)30-22)17-21(24(31)19-10-12-20(34)13-11-19)25(35)29-15-7-8-16-32(2,3)4/h10-13,21-24H,5-9,14-17H2,1-4H3,(H3-,28,29,30,33,34,35,36)/p+1/t21-,22-,23-,24-/m0/s1
InChIKey	PIFYBJQVXLOVIG-ZJZGAYNASA-O

ChEBI Ontology

Outgoing Relation(s)
	4-[[[(3S,6R,7S,8aS)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium (CHEBI:125197) is a pyrrolidines (CHEBI:38260)

Manual Xrefs	Databases
LSM-36664	LINCS