heme a
Chemical Formula:
C49H54N4O6Fe
Molecular Weight:
850.84 Daltons
Monoisotopic Mass:
850.84 Daltons
SMILES:
C=CC4(\C6(/C=C8(C(/C)=C(CCC(=O)[O-])/C1(/N([Fe]35([N+]2(\C(/C(/C=O)=C(CCC(=O)[O-])\C(/C=1)=2)=C/C7(/N3C(\C=C(C(/C)=4)/[N+]\5=6)=C(C(/C)=7)/[C@@H](O)CC/C=C(C)/CC/C=C(C)/CCC=C(C)C))))8))))
InChI:
1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+4/p-4/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1
InChIKey:
Databases
MetaCyc:
HEME_A
ChEBI:
61715
KEGG:
C15670
PubChem (CID):
146026556