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

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(S)-colchicine

MNXM8442 is deprecated and here replaced by MNXM733930
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM733930
reference	chebi:27882
formula	C₂₂H₂₅NO₆
global charge	0
mol weight	399.443
InChIKey	IAKHMKGGTNLKSZ-INIZCTEOSA-N
InChI	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
SMILES	COC1=CC=C2C(=CC1=O)[C@@H](NC(C)=O)CCC1=C2C(OC)=C(OC)C(OC)=C1

MNX internals

InChI (mnx)	InChI=1/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
SMILES (mnx)	[CH3:1][C:12](=[N:23][C@H:16]1[CH2:8][CH2:6][C:13]2=[C:20]([C:14]3=[CH:7][CH:9]=[C:18]([O:26][CH3:2])[C:17](=[O:25])[CH:11]=[C:15]31)[C:22]([O:29][CH3:5])=[C:21]([O:28][CH3:4])[C:19]([O:27][CH3:3])=[CH:10]2)[OH:24]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27882 chebi:27882 IAKHMKGGTNLKSZ-INIZCTEOSA-N	(S)-colchicine (-)-colchicine (S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide 7alphaH-colchicine Colchicin Colchicine Colchisol Colcin Colcrys Colsaloid Condylon Goutnil Kolkicin Mitigare N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide colchicina colchicinum
metacyc.compound:CPD-9785 metacycM:CPD-9785 IAKHMKGGTNLKSZ-INIZCTEOSA-N	(S)-colchicine (S)-colchicin (S)-colchicina colsaloid condylon spindle poison
kegg.compound:C07592 keggC:C07592 IAKHMKGGTNLKSZ-INIZCTEOSA-N	Colchicine
kegg.drug:D00570 keggD:D00570 IAKHMKGGTNLKSZ-INIZCTEOSA-N	Colchicine (JP18/USP) Colchicine (TN)
seed.compound:cpd04757 seedM:cpd04757 IAKHMKGGTNLKSZ-INIZCTEOSA-N	Colchicine (S)-colchicin (S)-colchicina (S)-colchicine colchicin colchicina colchicine colsaloid condylon spindle poison
chebi:3811 keggC:M_C07592 keggD:M_D00570 seedM:M_cpd04757	secondary/obsolete/fantasy identifier