precorrin-2
Chemical Formula:
C42H41N4O16
Molecular Weight:
857.803 Daltons
Monoisotopic Mass:
865.3143565473 Daltons
SMILES:
CC5(CC(=O)[O-])(C(C4(=CC1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C(N2)C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(=N3)C=C([N+]4)5)))))CCC(=O)[O-])
InChI:
1S/C42H48N4O16/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/h14-16,23-24,43-45H,3-13,17-18H2,1-2H3,(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-7/b29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1
InChIKey:
Synonyms
- dihydrosirohydrochlorin
Databases
MetaCyc:
DIHYDROSIROHYDROCHLORIN
BiGG:
dscl
ChEBI:
58827
PubChem (CID):
25245987
CAS:
82542-92-5
KEGG:
C02463
Seed:
cpd01620
MetaNetX:
MNXM672