protoporphyrin IX

Chemical Formula:

C₃₄H₃₂N₄O₄

Molecular Weight:

560.651 Daltons

Monoisotopic Mass:

562.2580056006001 Daltons

SMILES:

C=CC1(C(C)=C2(C=C5(C(C)=C(CCC([O-])=O)C(C=C4(C(CCC([O-])=O)=C(C)C(=CC3(C(C=C)=C(C)C(=CC=1N2)N=3))N4))=N5)))

InChI:

1S/C34H34N4O4/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/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-

InChIKey:

KSFOVUSSGSKXFI-UJJXFSCMSA-L

Databases

MetaCyc: PROTOPORPHYRIN_IX

RefMet: Protoporphyrin

BiGG: ppp9

HMDB: HMDB00241

ChemSpider: 20171337

ChEBI: 57306

PubChem (CID): 3794562

KEGG: C02191

CAS: 553-12-8

Seed: cpd01476

MetaNetX: MNXM346