sirohydrochlorin
Chemical Formula:
C42H38N4O16
Molecular Weight:
854.779 Daltons
Monoisotopic Mass:
862.290881451 Daltons
SMILES:
CC2(CC(=O)[O-])(C1(=CC5(=NC(=CC4(NC(C=C3(N=C(C=C(N1)C(CCC(=O)[O-])2)C(CC(=O)[O-])=C(CCC(=O)[O-])3))=C(CCC(=O)[O-])C(CC(=O)[O-])=4))C(C)(CC(=O)[O-])C(CCC(=O)[O-])5)))
InChI:
1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-8/b25-13-,29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1
InChIKey:
Synonyms
- Precorrin
Databases
MetaCyc:
SIROHYDROCHLORIN
BiGG:
scl
ChEBI:
58351
PubChem (CID):
25245154
KEGG:
C05778
CAS:
65207-12-7
Seed:
cpd03426
MetaNetX:
MNXM863