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

Feedback

divinyl chlorophyllide a

MNXM1047 is deprecated and here replaced by MNXM1107681
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1107681
reference	chebi:38259
formula	C₃₅H₃₂MgN₄O₅
global charge	0
mol weight	612.969
InChIKey	IQLDSMIBDORHSF-NYABAGMLSA-L
InChI	InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1
SMILES	C=CC1=C(C)C2=CC3=[N+]4C(=C5C6=C(C(=O)[C@@H]5C(=O)OC)C(C)=C5C=C7C(C=C)=C(C)C8=[N+]7[Mg-2]4(N2C1=C8)N56)[C@@H](CCC(=O)O)[C@@H]3C

MNX internals

InChI (mnx)	InChI=1/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/t17-,21-,31+;/m0./s1
SMILES (mnx)	[CH2:1]=[CH:8][C:19]1=[C:15]([CH3:3])[C:22]2=[CH:12][C:24]3=[N:38][C:32](=[C:30]4[C@@H:31]([C:35](=[O:43])[O:44][CH3:7])[C:34](=[O:42])[C:29]5=[C:18]([CH3:6])[C:25](=[CH:14][C:27]6=[C:20]([CH:9]=[CH2:2])[C:16]([CH3:4])=[C:23]([CH:13]=[C:26]1[N-:36]2)[NH2+:37]6)[N:39]=[C:33]54)[C@@H:21]([CH2:10][CH2:11][C:28](=[O:40])[OH:41])[C@@H:17]3[CH3:5].[Mg+2:45]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:38259 chebi:38259 IQLDSMIBDORHSF-NYABAGMLSA-L	divinyl chlorophyllide a Divinyl chlorophyllide a {3-[(3S,4S,21R)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9,14-divinylphorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium {3-[(3S,4S,21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium
kegg.compound:C11832 keggC:C11832 IQLDSMIBDORHSF-NYABAGMLSA-L	Divinyl chlorophyllide a 3,8-Divinyl chlorophyllide a
seed.compound:cpd08632 seedM:cpd08632 IQLDSMIBDORHSF-NYABAGMLSA-K	Divinyl chlorophyllide a 3,8-divinyl chlorophyllide a divinylchlorophyllide a
CHEBI:58688 chebi:58688 IQLDSMIBDORHSF-NYABAGMLSA-K	divinyl chlorophyllide a(1-)
chebi:14185 chebi:29576 keggC:M_C11832 seedM:M_cpd08632	secondary/obsolete/fantasy identifier