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epoxypheophorbide a

MNXM162470 is deprecated and here replaced by MNXM1363680
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363680 Image of MNXM1363680
referencechebi:90228
formulaC35H36N4O6
global charge0
mol weight608.695
InChIKeyICQNLVYDPRIQAA-UJSYQKIMSA-N
InChIInChI=1S/C35H36N4O6/c1-8-18-15(4)29-33-35(45-33)20(9-2)16(5)23(39-35)12-21-14(3)19(10-11-25(40)41)30(36-21)27-28(34(43)44-7)32(42)26-17(6)22(37-31(26)27)13-24(18)38-29/h9,12-14,19,28,33,37,39H,2,8,10-11H2,1,3-7H3,(H,40,41)/b23-12-,24-13-,30-27-/t14-,19-,28+,33?,35?/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)=C4CC)C4OC14N2)N5)[C@@H](CCC(=O)O)[C@@H]3C
MNX internals
InChI (mnx)InChI=1/C35H36N4O6/c1-8-18-15(4)29-33-35(45-33)20(9-2)16(5)23(39-35)12-21-14(3)19(10-11-25(40)41)30(36-21)27-28(34(43)44-7)32(42)26-17(6)22(37-31(26)27)13-24(18)38-29/h9,12-14,19,28,33,37,39H,2,8,10-11H2,1,3-7H3,(H,40,41)/b23-12-,24-13-,30-27-/t14-,19-,28+,33?,35?/m0/s1 Image of MNXM1363680
SMILES (mnx)[CH3:1][CH2:8][C:18]1=[C:15]([CH3:4])[C:29]2=[N:38]/[C:24]1=[CH:13]\[C:22]1=[C:17]([CH3:6])[C:26]3=[C:31](/[C:27](=[C:30]4/[C@@H:19]([CH2:10][CH2:11][C:25](=[O:40])[OH:41])[C@H:14]([CH3:3])[C:21](=[N:36]4)/[CH:12]=[C:23]4/[C:16]([CH3:5])=[C:20]([CH:9]=[CH2:2])[C:35]5([CH:33]2[O:45]5)[NH:39]4)[C@@H:28]([C:34](=[O:43])[O:44][CH3:7])[C:32]3=[O:42])[NH:37]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90228
chebi:90228
ICQNLVYDPRIQAA-UJSYQKIMSA-N 		epoxypheophorbide a
3-[(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4,20,21,23,25-hexahydro-11H-phorbin-3-yl]propanoic acid

kegg.compound:C21192
keggC:C21192
ICQNLVYDPRIQAA-UJSYQKIMSA-N 		Epoxypheophorbide a

keggC:M_C21192 		secondary/obsolete/fantasy identifier