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Precorrin 6A

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1368836 Image of MNXM1368836 Image of MNXM1368836
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
formulaC44H46N4O16
charge-8
mass886.864
referenceseedM:cpd03761
InChIKeyRIWKCBSDRQKWPZ-JNAYEHBVSA-F
InChIInChI=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
SMILESC[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-]
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Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd03761
seedM:cpd03761
Precorrin 6A
Precorrin 6X
pre6a
precorrin-6A
precorrin-6x
seedM:M_cpd03761 secondary/obsolete/fantasy identifier