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protochlorophyllide

MNXM62503 is deprecated and here replaced by MNXM738915
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738915 Image of MNXM738915
referencechebi:16673
formulaC35H32MgN4O5
global charge0
mol weight612.969
InChIKeyQBPCOMNNISRCTC-KKNVGXODSA-L
InChIInChI=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;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1
SMILESC=CC1=C(C)C2=CC3=[N+]4C(=C5C6=C(C(=O)[C@@H]5C(=O)OC)C(C)=C5C=C7C(CC)=C(C)C8=[N+]7[Mg-2]4(N2C1=C8)N56)C(CCC(=O)O)=C3C
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;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/b22-12-,23-13-,24-12-,25-14?,26-13?,27-14-,32-30?;/t31-;/m1./s1 Image of MNXM738915
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]([CH2:9][CH3:2])[C:16]([CH3:4])=[C:23]([CH:13]=[C:26]1[N-:36]2)[NH2+:37]6)[N:39]=[C:33]54)[C:21]([CH2:10][CH2:11][C:28](=[O:40])[OH:41])=[C:17]3[CH3:5].[Mg+2:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16673
chebi:16673
QBPCOMNNISRCTC-KKNVGXODSA-L 		protochlorophyllide
Protochlorophyllide
protochlorophyllide a
{3-[(21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3,4-didehydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium
{3-[(21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium
hmdb:HMDB0031148
QBPCOMNNISRCTC-KKNVGXODSA-L 		Protochlorophyllide
(5R)-23-(2-carboxyethyl)-17-ethenyl-12-ethyl-5-(methoxycarbonyl)-8,13,18,22-tetramethyl-6-oxo-2,25lambda5,26lambda5,27-tetraaza-1-magnesanonacyclo[12.11.1.1^{1,16}.0^{2,9}.0^{3,7}.0^{4,24}.0^{11,26}.0^{21,25}.0^{19,27}]heptacosa-3(7),4(24),8,10,12,14(26),15,17,19,21(25),22-undecaene-25,26-bis(ylium)-1,1-diuide
Protochlorophyllide a
{3-[(21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3,4-didehydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium

sabiork.compound:2564
sabiorkM:2564
QBPCOMNNISRCTC-KKNVGXODSA-L 		Protochlorophyllide
2,4-Divinylprotochlorophyllide
Mg-2,4-Divinyl-phaeoporphyrin a5-monomethylester

kegg.compound:C02880
keggC:C02880
QBPCOMNNISRCTC-KKNVGXODSA-L 		Protochlorophyllide
Protochlorophyllide a

CHEBI:57855
chebi:57855
QBPCOMNNISRCTC-KKNVGXODSA-K 		protochlorophyllide(1-)
protochlorophyllide anion
{3-[(21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa(2)N(23),N(25)]propanoato(3-)}magnesate(1-)

hmdb:HMDB31148
chebi:14956
chebi:26353
chebi:8587
keggC:M_C02880 		secondary/obsolete/fantasy identifier