cob(I)inamide

Chemical Formula:

C₄₈H₇₂N₁₁O₈CO

Molecular Weight:

990.096 Daltons

Monoisotopic Mass:

989.4897335452 Daltons

SMILES:

CC(O)CNC(=O)CCC5(C)(C(CC(=O)N)[CH]7(C8(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co---]26([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=4C(C)=C5N67)))8))))

InChI:

1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+1/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1

InChIKey:

XQRJFEVDQXEIAX-JFYQDRLCSA-M

Synonyms

Cbi(I)

Databases

MetaCyc: COBINAMIDE

BiGG: cbi

PubChem (CID): 91820010

HMDB: HMDB06902

ChEBI: 28956

CAS: 1867-62-5

KEGG: C05774

MetaNetX: MNXM1549