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pheophorbide b

MNXM20426 is deprecated and here replaced by MNXM1368746
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368746 Image of MNXM1368746
referencechebi:38258
formulaC35H34N4O6
global charge0
mol weight606.679
InChIKeyPROPHBCDMQAJMH-HSJXTSEBSA-N
InChIInChI=1S/C35H34N4O6/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/h7,11-14,16,20,31,36,39H,1,8-10H2,2-6H3,(H,41,42)/b22-11-,23-11-,24-12-,25-13-,26-12-,27-13-,32-30-/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)=C(/C=C4\N=C(/C=C/1N2)C(C=O)=C4CC)N5)[C@@H](CCC(=O)O)[C@@H]3C
MNX internals
InChI (mnx)InChI=1/C35H34N4O6/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/h7,11-14,16,20,31,36,39H,1,8-10H2,2-6H3,(H,41,42)/b22-11-,23-11-,24-12-,25-13-,26-12-,27-13-,32-30-/t16-,20-,31+/m0/s1 Image of MNXM1368746
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:33]4[NH:39][C:24](=[C:17]5[CH3:5])/[CH:12]=[C:26]4/[C:19]([CH2:8][CH3:2])=[C:21]([CH:14]=[O:40])[C:27](=[N:37]4)/[CH:13]=[C:25]/1[NH:36]2)[C@@H:20]([CH2:9][CH2:10][C:28](=[O:41])[OH:42])[C@@H:16]3[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:38258
chebi:38258
PROPHBCDMQAJMH-HSJXTSEBSA-N 		pheophorbide b
(2(2)R,17S,18S)-7-ethyl-8-formyl-2(1),2(2),17,18-tetrahydro-2(2)-(methoxycarbonyl)-3,13,17-trimethyl-2(1)-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoic acid
(3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid
(3S-(3alpha,4beta,21beta))-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionic acid
3-[(3S,4S,21R)-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid
Phaeophorbid b
Phaeophorbid-b

metacyc.compound:CPD-7062
metacycM:CPD-7062
PROPHBCDMQAJMH-HSJXTSEBSA-M 		pheophorbide b
pheide b