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7(1)-hydroxychlorophyllide a

MNXM1366 is deprecated and here replaced by MNXM1107778
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107778 Image of MNXM1107778
referencechebi:48396
formulaC35H34MgN4O6
global charge0
mol weight630.984
InChIKeyQCWXXDQFRHDXNM-IEEIVXFASA-L
InChIInChI=1S/C35H36N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-13,16,20,31,40H,1,8-10,14H2,2-6H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t16-,20-,31+;/m0./s1
SMILESC=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C@@H]4C(=O)OC)C(C)=C4/C=C6\N=C(/C=C/1N2[Mg]N45)C(CO)=C6CC)[C@@H](CCC(=O)O)[C@@H]3C
MNX internals
InChI (mnx)InChI=1/C35H36N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-13,16,20,31,40H,1,8-10,14H2,2-6H3,(H3,36,37,38,39,41,42,43);/q;+2/t16-,20-,31+;/m0./s1 Image of MNXM1107778
SMILES (mnx)[CH2:1]=[CH:7][C:18]1=[C:15]([CH3:3])[C:22]2=[CH:11][C:23]3=[N:38][C:32](=[C:30]4[C@@H:31]([C:35](=[O:44])[O:45][CH3:6])[C:34](=[O:43])[C:29]5=[C:17]([CH3:5])[C:24](=[CH:12][C:26]6=[C:19]([CH2:8][CH3:2])[C:21]([CH2:14][OH:40])=[C:27]([CH:13]=[C:25]1[N-:36]2)[NH2+:37]6)[N:39]=[C:33]54)[C@@H:20]([CH2:9][CH2:10][C:28](=[O:41])[OH:42])[C@@H:16]3[CH3:4].[Mg+2:46]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:48396
chebi:48396
QCWXXDQFRHDXNM-IEEIVXFASA-L 		7(1)-hydroxychlorophyllide a
[3-{(3S,4S,21R)-9-ethenyl-14-ethyl-13-(hydroxymethyl)-4,8,18-trimethyl-21-[(methyloxy)carbonyl]-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)}propanoato(2-)]magnesium

kegg.compound:C16540
keggC:C16540
QCWXXDQFRHDXNM-IEEIVXFASA-L 		7(1)-Hydroxychlorophyllide a

CHEBI:58741
chebi:58741
QCWXXDQFRHDXNM-IEEIVXFASA-K 		7(1)-hydroxychlorophyllide a(1-)

seed.compound:cpd16354
seedM:cpd16354
QCWXXDQFRHDXNM-IEEIVXFASA-K 		7-Hydroxychlorophyllide a
7(1)-Hydroxychlorophyllide a
7-hydroxychlorophyllide a (misleading)
71-hydroxychlorophyllide a

keggC:M_C16540
seedM:M_cpd16354 		secondary/obsolete/fantasy identifier