protoheme

Chemical Formula:

C₃₄H₃₀N₄O₄Fe

Molecular Weight:

614.482 Daltons

Monoisotopic Mass:

616.1772976364 Daltons

SMILES:

C=CC1(C(C)=C7(C=C8(C(C)=C(CCC(=O)[O-])C6(=[N+]([Fe--]24(N(C=1C=C3(C(C)=C(C=C)C(=[N+]23)C=C5(C(C)=C(CCC(=O)[O-])C(N45)=C6)))7))8))))

InChI:

1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

InChIKey:

KABFMIBPWCXCRK-RGGAHWMASA-J

Synonyms

protoheme IX
ferroprotoporphyrin IX
ferroheme b
Heme
Heme B

Databases

MetaCyc: PROTOHEME

RefMet: Heme

BiGG: pheme

ChEBI: 17627 26355 30413

KEGG: C00032

CAS: 14875-96-8

PupChem (SID): 3334

PDB-CCD: HEM

MetaNetX: MNXM249

PubChem (CID): 26945