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epoxypheophorbide a

Properties

Image

Occurences in reactions

MNX_ID

MNXM730368

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₅H₃₅N₄O₆

charge

-1

mass

607.25621

reference

chebi:88233

InChIKey

ZMTPZDVBGYNPLZ-YGOWEZGDSA-N

InChI

InChI=1S/C35H35N4O6/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/h9,12-14,19,33,37,39H,2,8,10-11H2,1,3-7H3,(H,40,41)/q-1/b23-12-,24-13-,30-27-/t14-,19-,33?,35?/m0/s1

SMILES

C=CC1=C(C)/C2=C/C3=[NH+]/C(=C4\c5[nH]c(c(C)c5C(=O)[C-]4C(=O)OC)/C=C4\N=C(C(C)=C4CC)C4OC14N2)[C@@H](CCC(=O)[O-])[C@@H]3C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88233 chebi:88233	epoxypheophorbide a 3-[(3S,4S)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4,20,21,23,25-hexahydro-11H-phorbin-26-ium-21-id-3-yl]propanoate epoxypheophorbide a(1-)
metacyc.compound:CPD-18666 metacycM:CPD-18666	epoxypheophorbide a
CHEBI:88232 chebi:88232	epoxypheophorbide a(2-) 3-[(3S,4S)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4,20,21,23,25-hexahydro-11H-phorbin-21-id-3-yl]propanoate