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precorrin-5

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM729931 Image of MNXM729931 Image of MNXM729931
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 3
formulaC45H47N4O17
charge-7
mass915.882
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
SMILES[CH3:1][C:21]([C:45]12[C:40]3=[C:26]([CH2:15][C:37](=[O:61])[OH:62])[C@@:41]([CH3:2])([CH2:13][CH2:12][C:35](=[O:57])[OH:58])[C:30](=[N:47]3)[CH2:16][C:27]3=[N:48][C@@:44]([CH3:5])([CH2:18][C:29]4=[C:23]([CH2:7][CH2:10][C:33](=[O:53])[OH:54])[C@:42]([CH3:3])([CH2:19][C:38](=[O:63])[OH:64])[C:31](=[N:46]4)/[CH:17]=[C:28](/[C@@H:24]([CH2:8][CH2:11][C:34](=[O:55])[OH:56])[C@:43]1([CH3:4])[CH2:20][C:39](=[O:65])[OH:66])[NH:49]2)[C:25]([CH2:14][C:36](=[O:59])[OH:60])=[C:22]3[CH2:6][CH2:9][C:32](=[O:51])[OH:52])=[O:50]
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 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
seed.compound:cpd03839
seedM:cpd03839 		Precorrin 5
pre5
precorrin-5
metacyc.compound:CPD-662
metacycM:CPD-662 		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
seedM:M_cpd03839 		secondary/obsolete/fantasy identifier