Feedback

heme d cis-diol

MNXM56016 is deprecated and here replaced by MNXM738217
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738217

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₄H₃₂FeN₄O₆

charge

-2

mass

648.16822

reference

chebi:62814

InChIKey

GFRHEDKPMCXPFU-XCVPDAMTSA-J

InChI

InChI=1S/C34H36N4O6.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(44,12-11-32(41)42)33(6,43)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,43-44H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-4/t33-,34+;/m0./s1

SMILES

C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4n1[Fe-2]31n3c(c(C)c(CCC(=O)[O-])c3=CC3=[N+]1C(=C4)[C@](C)(O)[C@@]3(O)CCC(=O)[O-])=C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62814 chebi:62814	heme d cis-diol ferroheme d cis-diol(2-) ferroheme d(2-) haem d cis-diol(2-) heme d cis-diol(2-) heme d(2-) {3,3'-[(2RS,3SR)-7,12-diethenyl-2,3-dihydroxy-3,8,13,17-tetramethyl-2,3-dihydroporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)]dipropanoato(4-)}ferrate(2)
CHEBI:62811 chebi:62811	heme d cis-diol ferroheme d ferroheme d cis-diol haem d cis-diol heme d {3,3'-[(2RS,3SR)-7,12-diethenyl-2,3-dihydroxy-3,8,13,17-tetramethyl-2,3-dihydroporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)]dipropanoato(2-)}iron