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Heme O

Properties

Image

Occurences in reactions

MNX_ID

MNXM1365552

	#reac
in my sandbox	0
in MNXref (generic)	35
in models (compartimentalized)	23

formula

C₄₉H₅₈FeN₄O₅

charge

mass

838.871

reference

keggC:C15672

InChIKey

FISPASSVCDRERW-KVGORYHISA-L

InChI

InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;

SMILES

[CH2:1]=[CH:10][C:35]1=[C:31]([CH3:6])[c:40]2[cH:26][c:45]3[c:49]([CH:46]([CH2:19][CH2:13]/[CH:18]=[C:30](\[CH3:5])[CH2:17][CH2:12]/[CH:16]=[C:29](\[CH3:4])[CH2:15][CH2:11][CH:14]=[C:28]([CH3:2])[CH3:3])[OH:54])[c:34]([CH3:9])[c:41]([cH:24][c:38]4[c:32]([CH3:7])[c:36]([CH2:20][CH2:22][C:47](=[O:55])[OH:56])[c:43]([cH:27][c:44]5[n:52][c:39]([cH:25][c:42]1[nH+:50]2)[C:33]([CH3:8])=[C:37]5[CH2:21][CH2:23][C:48](=[O:57])[OH:58])[n-:51]4)[nH:53]3.[Fe+2:59]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:hemeO biggM:hemeO kegg.compound:C15672 keggC:C15672	Heme O
vmhM:hemeO vmhmetabolite:hemeO	Heme O 3-[(11Z,16Z)-20-(2-carboxyethyl)-15-ethenyl-10-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-5,9,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶
hmdb:HMDB0001162	Heme O 3-[(11Z,16Z)-20-(2-carboxyethyl)-15-ethenyl-10-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-5,9,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-4-yl]propanoic acid
metacyc.compound:CPD-17063 metacycM:CPD-17063	ferroheme o
seed.compound:cpd11313 seedM:cpd11313	hemeO Heme O heme o
hmdb:HMDB01162 biggM:M_hemeO keggC:M_C15672 seedM:M_cpd11313	secondary/obsolete/fantasy identifier