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precorrin-5

MNXM1588 is deprecated and here replaced by MNXM729931
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM729931Image of MNXM729931
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
formulaC45H47N4O17
charge-7
mass915.29746
referencechebi:77871
InChIKeyOUPXZNRNMLYOGK-FNFWWFRLSA-G
InChIInChI=1S/C45H54N4O17/c1-21(50)45-40-26(15-37(61)62)41(2,13-12-35(57)58)30(47-40)16-27-22(6-9-32(51)52)25(14-36(59)60)44(5,48-27)18-29-23(7-10-33(53)54)42(3,19-38(63)64)31(46-29)17-28(49-45)24(8-11-34(55)56)43(45,4)20-39(65)66/h17,24,49H,6-16,18-20H2,1-5H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/p-7/b28-17-/t24-,41-,42+,43+,44+,45?/m1/s1
SMILESCC(=O)C12N/C(=C\C3=[NH+]C(=C(CCC(=O)[O-])[C@]3(C)CC(=O)[O-])C[C@]3(C)N=C(CC4=NC1=C(CC(=O)[O-])[C@@]4(C)CCC(=O)[O-])C(CCC(=O)[O-])=C3CC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:77871
chebi:77871 		precorrin-5
precorrin-5(7-)
kegg.compound:C06416
keggC:C06416 		Precorrin 5
CHEBI:58518
chebi:58518 		precorrin-5(8-)
3,3',3'',3'''-[(2S,3S,7S,11S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxylatomethyl)-2,7,11,17-tetramethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoate
CHEBI:27630
chebi:27630 		precorrin-5
3,3',3'',3'''-[(2S,3S,7S,11S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,11,17-tetramethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid
Precorrin 5
chebi:14874
chebi:26224
chebi:8374
keggC:M_C06416 		secondary/obsolete/fantasy identifier