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pyropheophorbide a

MNXM2556 is deprecated and here replaced by MNXM733061
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM733061 Image of MNXM733061
referencechebi:58742
formulaC33H33N4O3
global charge-1
mol weight533.652
InChIKeyIEGUQQKIFBYXLG-CDIXLCFRSA-M
InChIInChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/p-1/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-/m0/s1
SMILESC=CC1=C(C)/C2=C/C3=N/C(=C4/CC(=O)C5=C4NC(=C5C)/C=C4\N=C(/C=C/1N2)C(C)=C4CC)[C@@H](CCC(=O)[O-])[C@@H]3C
MNX internals
InChI (mnx)InChI=1/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-/m0/s1 Image of MNXM733061
SMILES (mnx)[CH2:1]=[CH:7][C:19]1=[C:15]([CH3:3])/[C:23]2=[CH:12]/[C:25]3=[N:36]/[C:32](=[C:22]4/[CH2:11][C:29](=[O:38])[C:31]5=[C:33]4[NH:37][C:26](=[C:18]5[CH3:6])/[CH:14]=[C:28]4/[C:20]([CH2:8][CH3:2])=[C:16]([CH3:4])[C:24](=[N:35]4)/[CH:13]=[C:27]/1[NH:34]2)[C@@H:21]([CH2:9][CH2:10][C:30](=[O:39])[OH:40])[C@@H:17]3[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58742
chebi:58742
IEGUQQKIFBYXLG-CDIXLCFRSA-M 		pyropheophorbide a
3-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoate
pyropheophorbide a anion

kegg.compound:C18064
keggC:C18064
vmhM:ppphbda
vmhmetabolite:ppphbda
IEGUQQKIFBYXLG-CDIXLCFRSA-N 		Pyropheophorbide a

seed.compound:cpd18047
seedM:cpd18047
IEGUQQKIFBYXLG-CDIXLCFRSA-M 		Pyropheophorbide a
pyropheophorbide a

metacyc.compound:CPD-10296
metacycM:CPD-10296
IEGUQQKIFBYXLG-CDIXLCFRSA-M 		pyropheophorbide a

CHEBI:48398
chebi:48398
IEGUQQKIFBYXLG-CDIXLCFRSA-N 		pyropheophorbide a
(3S-trans)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid
3-[(3S,4S)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid

keggC:M_C18064
seedM:M_cpd18047
vmhM:M_ppphbda 		secondary/obsolete/fantasy identifier