Search MNXref
 Feedback

heme d1

PropertiesImage
MNX_IDMNXM56018 Image of MNXM56018
referencechebi:60549
formulaC34H26FeN4O10
global charge-4
mol weight706.445
InChIKeyYTCKFKAUGWIMPJ-FSQDTXDGSA-H
InChIInChI=1S/C34H32N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h6,8-12H,5,7,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-6/b8-6+;/t33-,34-;/m1./s1
SMILESCC1=C(/C=C/C(=O)[O-])C2=CC3=C(CCC(=O)[O-])C(C)=C4C=C5C(=O)[C@](C)(CC(=O)[O-])C6=[N+]5[Fe-2]5(N2C1=CC1=[N+]5C(=C6)C(=O)[C@]1(C)CC(=O)[O-])N43
MNX internals
InChI (mnx)InChI=1/C34H32N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h6,8-12H,5,7,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/b8-6+;/t33-,34-;/m1./s1 Image of MNXM56018
SMILES (mnx)[CH3:1][C:15]1=[C:17]([CH2:5][CH2:7][C:27](=[O:39])[OH:40])[C:21]2=[CH:10][C:22]3=[NH+:36][C:20](=[CH:11][C:25]4=[N:38][C:24](=[CH:12][C:26]5=[N:37][C:23](=[C:31]([OH:47])[C@:34]5([CH3:4])[CH2:14][C:30](=[O:45])[OH:46])[CH:9]=[C:19]1[N-:35]2)[C:32](=[O:48])[C@:33]4([CH3:3])[CH2:13][C:29](=[O:43])[OH:44])[C:16]([CH3:2])=[C:18]3/[CH:6]=[CH:8]/[C:28](=[O:41])[OH:42].[Fe+2:49]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60549
chebi:60549
YTCKFKAUGWIMPJ-FSQDTXDGSA-H 		heme d1
[(2E)-3-[(7R,12R)-18-(2-carboxylatoethyl)-7,12-bis(carboxylatomethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl-kappa(4)N(21),N(22),N(23),N(24)]prop-2-enoato(6-)]iron
ferroheme d1 tetraanion
ferroheme d1 tetracarboxylate
ferroheme d1(4-)
haem d1(4-)
{3-[18-(2-carboxylatoethyl)-7,12-bis(carboxylatomethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl--kappa(4)N(21),N(22),N(23),N(24)]acrylato(6-)}iron

kegg.compound:C22339
keggC:C22339
YTCKFKAUGWIMPJ-FSQDTXDGSA-L 		Heme d1

metacyc.compound:CPD-17059
metacycM:CPD-17059
seed.compound:cpd33242
seedM:cpd33242
YTCKFKAUGWIMPJ-FSQDTXDGSA-H 		ferroheme d1

CHEBI:61147
chebi:61147
YTCKFKAUGWIMPJ-FSQDTXDGSA-L 		ferroheme d1
[(2E)-3-[(7R,12R)-18-(2-carboxyethyl)-7,12-bis(carboxymethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl-kappa(4)N(21),N(22),N(23),N(24)]prop-2-enoato(2-)]iron
dioneheme
haem d1
heme d1
{3-[18-(2-carboxyethyl)-7,12-bis(carboxymethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl--kappa(4)N(21),N(22),N(23),N(24)]acrylato(2-)}iron

metacyc.compound:Heme-d1
metacycM:Heme-d1
YTCKFKAUGWIMPJ-FSQDTXDGSA-H 		heme d1

chebi:62800
keggC:M_C22339
seedM:M_cpd33242 		secondary/obsolete/fantasy identifier