MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

Andrimid

	Properties	Image
MNX_ID	MNXM102739
reference	chebi:216634
formula	C₂₇H₃₃N₃O₅
global charge	0
mol weight	479.577
InChIKey	OHDXGZAYYBMHCY-QSUIEZAASA-N
InChI	InChI=1S/C27H33N3O5/c1-5-6-7-8-12-15-21(31)28-20(19-13-10-9-11-14-19)16-22(32)29-24(17(2)3)25(33)23-18(4)26(34)30-27(23)35/h5-15,17-18,20,23-24H,16H2,1-4H3,(H,28,31)(H,29,32)(H,30,34,35)/b6-5+,8-7+,15-12+/t18-,20-,23+,24-/m0/s1
SMILES	C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C)C(C)C)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C27H33N3O5/c1-5-6-7-8-12-15-21(31)28-20(19-13-10-9-11-14-19)16-22(32)29-24(17(2)3)25(33)23-18(4)26(34)30-27(23)35/h5-15,17-18,20,23-24H,16H2,1-4H3,(H,28,31)(H,29,32)(H,30,34,35)/b6-5+,8-7+,15-12+/t18-,20-,23+,24-/m0/s1
SMILES (mnx)	[CH3:1]/[CH:5]=[CH:6]/[CH:7]=[CH:8]/[CH:12]=[CH:15]/[C:21](=[N:28]/[C@@H:20]([CH2:16][C:22](=[N:29][C@@H:24]([CH:17]([CH3:2])[CH3:3])[C:25]([C@H:23]1[C@H:18]([CH3:4])[C:26]([OH:34])=[N:30][C:27]1=[O:35])=[O:33])[OH:32])[C:19]1=[CH:13][CH:10]=[CH:9][CH:11]=[CH:14]1)[OH:31]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:216634 chebi:216634 OHDXGZAYYBMHCY-QSUIEZAASA-N	Andrimid (2E,4E,6E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]octa-2,4,6-trienamide
kegg.compound:C22681 keggC:C22681 OHDXGZAYYBMHCY-QSUIEZAASA-N	Andrimid
metacyc.compound:CPD-14670 metacycM:CPD-14670 seed.compound:cpd34156 seedM:cpd34156 OHDXGZAYYBMHCY-QSUIEZAASA-N	andrimid
keggC:M_C22681 seedM:M_cpd34156	secondary/obsolete/fantasy identifier