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pheophorbide a

MNXM91266 is deprecated and here replaced by MNXM1108548
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108548 Image of MNXM1108548
referencechebi:58687
formulaC35H34N4O5
global charge-2
mol weight590.68
InChIKeyUXWYEAZHZLZDGM-ZVEVZSNKSA-M
InChIInChI=1S/C35H35N4O5/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/h8,12-14,17,21,36,39H,1,9-11H2,2-7H3,(H,40,41)/q-1/p-1/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-/m0/s1
SMILESC=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C-]4C(=O)OC)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/C35H35N4O5/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/h8,12-14,17,21,36,39H,1,9-11H2,2-7H3,(H,40,41)/q-1/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-/m0/s1 Image of MNXM1108548
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-:31]([C:35](=[O:43])[O:44][CH3:7])[C:34](=[O:42])[C:29]5=[C:33]4[NH:39][C:25](=[C:18]5[CH3:6])/[CH:14]=[C:27]4/[C:20]([CH2:9][CH3:2])=[C:16]([CH3:4])[C:23](=[N:37]4)/[CH:13]=[C:26]/1[NH:36]2)[C@@H:21]([CH2:10][CH2:11][C:28](=[O:40])[OH:41])[C@@H:17]3[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58687
chebi:58687
UXWYEAZHZLZDGM-ZVEVZSNKSA-M 		pheophorbide a
3-[(3S,4S)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-21-id-3-yl]propanoate
pheophorbide a(2-)

metacyc.compound:CPD-7061
metacycM:CPD-7061
UXWYEAZHZLZDGM-ZVEVZSNKSA-M 		pheophorbide a
pheide a