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C-13(2)-carboxypyropheophorbide a

MNXM2908 is deprecated and here replaced by MNXM1371496
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371496 Image of MNXM1371496
referencechebi:58743
formulaC34H32N4O5
global charge-2
mol weight576.653
InChIKeyHSGTVFFMFUJNOZ-NFFVJZDFSA-L
InChIInChI=1S/C34H34N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(39)40)31(37-23)29-30(34(42)43)33(41)28-17(6)24(38-32(28)29)13-26-19(8-2)15(4)22(36-26)12-25(18)35-21/h7,11-13,16,20,30,35,38H,1,8-10H2,2-6H3,(H,39,40)(H,42,43)/p-2/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,31-29-/t16-,20-,30+/m0/s1
SMILESC=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C@@H]4C(=O)[O-])C(C)=C(/C=C4\N=C(/C=C/1N2)C(C)=C4CC)N5)[C@@H](CCC(=O)[O-])[C@@H]3C
MNX internals
InChI (mnx)InChI=1/C34H34N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(39)40)31(37-23)29-30(34(42)43)33(41)28-17(6)24(38-32(28)29)13-26-19(8-2)15(4)22(36-26)12-25(18)35-21/h7,11-13,16,20,30,35,38H,1,8-10H2,2-6H3,(H,39,40)(H,42,43)/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,31-29-/t16-,20-,30+/m0/s1 Image of MNXM1371496
SMILES (mnx)[CH2:1]=[CH:7][C:18]1=[C:14]([CH3:3])/[C:21]2=[CH:11]/[C:23]3=[N:37]/[C:31](=[C:29]4/[C@@H:30]([C:34](=[O:42])[OH:43])[C:33](=[O:41])[C:28]5=[C:32]4[NH:38][C:24](=[C:17]5[CH3:6])/[CH:13]=[C:26]4/[C:19]([CH2:8][CH3:2])=[C:15]([CH3:4])[C:22](=[N:36]4)/[CH:12]=[C:25]/1[NH:35]2)[C@@H:20]([CH2:9][CH2:10][C:27](=[O:39])[OH:40])[C@@H:16]3[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58743
chebi:58743
HSGTVFFMFUJNOZ-NFFVJZDFSA-L 		C-13(2)-carboxypyropheophorbide a
(3S,4S,21R)-3-(2-carboxylatoethyl)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxophorbine-21-carboxylate
13(2)-carboxypyropheophorbide a(2-)

CHEBI:48399
chebi:48399
HSGTVFFMFUJNOZ-NFFVJZDFSA-N 		13(2)-carboxypyropheophorbide a
(3S,4S,21R)-3-(2-carboxyethyl)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-21-carboxylic acid
C-132-Carboxylpyropheophorbide a

kegg.compound:C18063
keggC:C18063
HSGTVFFMFUJNOZ-NFFVJZDFSA-N 		C-13(2)-Carboxypyropheophorbide a
C-13(2)-Carboxylpyropheophorbide a

metacyc.compound:CPD-14963
metacycM:CPD-14963
HSGTVFFMFUJNOZ-NFFVJZDFSA-M 		C-132-carboxypyropheophorbide a
(3S,4S,21R)-3-(2-carboxyethyl)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-21-carboxylic acid
3-phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-
C-13(2)-carboxylpyropheophorbide a
C-13(2)-carboxypyropheophorbide a

keggC:M_C18063 		secondary/obsolete/fantasy identifier