uroporphyrinogen-III

Chemical Formula:

C₄₀H₃₆N₄O₁₆

Molecular Weight:

828.742 Daltons

Monoisotopic Mass:

836.2752313868 Daltons

SMILES:

C(=O)([O-])CCC3(C(=C2(CC5(NC(CC4(NC(CC1(NC(=C(C=1CC(=O)[O-])CCC(=O)[O-])CC(N2)=3))=C(CC(=O)[O-])C=4CCC(=O)[O-]))=C(CC([O-])=O)C(CCC(=O)[O-])=5)))CC(=O)[O-])

InChI:

1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/p-8

InChIKey:

HUHWZXWWOFSFKF-UHFFFAOYSA-F

Synonyms

uroporphyrinogen III

Databases

MetaCyc: UROPORPHYRINOGEN-III

RefMet: Uroporphyrinogen III

BiGG: uppg3

MetaboLights: MTBLC57308

HMDB: HMDB01086

ChEBI: 57308

PubChem (CID): 25202645 1179

KEGG: C01051

CAS: 1976-85-8

Reactome: 189407

Seed: cpd00774

MetaNetX: MNXM414