pre-heme d1

pre-heme <i>d</i><sub>1</sub>




Chemical Formula:
C34H28N4O10FE
Molecular Weight:
708.463 Daltons
Monoisotopic Mass:
712.1467853690001 Daltons
SMILES:
CC4(C(CCC(=O)[O-])=C8(N5([Fe--]26([N+]1(C(C(CCC([O-])=O)=C(C)C=1C=C3(C(C)(CC(=O)[O-])C(=O)C(N23)=CC7(C(C)(CC(=O)[O-])C(=O)C(=CC=45)[N+]6=7)))=C8)))))
InChI:
1S/C34H34N4O10.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;/h9-12H,5-8,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-6/t33-,34-;/m1./s1
InChIKey:
XLQCGNUTSJTZNF-YDXXJHAFSA-H

Databases
MetaCyc:  CPD-17069
ChEBI:  140498
PubChem (CID):  91820333
MetaNetX:  MNXM148459