MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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Precorrin 6A
Properties
Image
with InChI numbering
Occurences in reactions
MNX_ID
MNXM1368836
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
2
formula
C
44
H
46
N
4
O
16
charge
-8
mass
886.864
reference
seedM:cpd03761
InChIKey
RIWKCBSDRQKWPZ-JNAYEHBVSA-F
InChI
InChI=1S/C44H54N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,45H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/p-8/t23-,40-,41+,42+,43+,44+/m1/s1
SMILES
C[C@]1(CCC(=O)[O-])C2=NC(=C1CC(=O)[O-])[C@]1(C)N=C(C=C3NC(=C(CCC(=O)[O-])[C@]3(C)CC(=O)[O-])C[C@]3(C)N=C(C2)C(CCC(=O)[O-])=C3CC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]1(C)CC(=O)[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
seed.compound:cpd03761
seedM:cpd03761
Precorrin 6A
Precorrin 6X
pre6a
precorrin-6A
precorrin-6x
seedM:M_cpd03761
secondary/obsolete/fantasy identifier