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precorrin-3B

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1369800 Image of MNXM1369800 Image of MNXM1369800
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
formulaC43H44N4O17
charge-6
mass888.836
referencechebi:77870
InChIKeyKJHZYYJBHKAUHS-NXWQJPGNSA-H
InChIInChI=1S/C43H50N4O17/c1-40(17-37(60)61)23(6-10-33(52)53)28-15-27-21(12-35(56)57)19(4-8-31(48)49)25(44-27)14-26-20(5-9-32(50)51)22(13-36(58)59)39(46-26)42(3,63)43-41(2,18-38(62)64-43)24(7-11-34(54)55)29(47-43)16-30(40)45-28/h15-16,23-24,44,46-47,63H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/p-6/b28-15-,29-16-/t23-,24-,40+,41+,42+,43-/m1/s1
SMILES[CH3:1][C@:40]1([CH2:17][C:37](=[O:60])[OH:61])[C@H:23]([CH2:6][CH2:10][C:33](=[O:52])[OH:53])/[C:28]2=[CH:15]/[c:27]3[c:21]([CH2:12][C:35](=[O:56])[OH:57])[c:19]([CH2:4][CH2:8][C:31](=[O:48])[OH:49])[c:25]([nH:44]3)[CH2:14][c:26]3[c:20]([CH2:5][CH2:9][C:32](=[O:50])[OH:51])[c:22]([CH2:13][C:36](=[O:58])[OH:59])[c:39]([nH:46]3)[C@:42]([CH3:3])([OH:63])[C@@:43]34[C@@:41]([CH3:2])([CH2:18][C:38](=[O:62])[O:64]3)[C@H:24]([CH2:7][CH2:11][C:34](=[O:54])[OH:55])/[C:29](=[CH:16]/[C:30]1=[N:45]2)[NH:47]4
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:77870
chebi:77870 		precorrin-3B
precorrin-3B(6-)
kegg.compound:C06406
keggC:C06406
vmhM:pre3b
vmhM:pre3b
vmhmetabolite:pre3b
vmhmetabolite:pre3b 		Precorrin 3B
metacyc.compound:CPD-643
metacycM:CPD-643 		precorrin-3B
CHEBI:58522
chebi:58522 		precorrin-3B(7-)
3,3',3'',3'''-(7S,8S,12S,13S,14R,15S)-2,7,12,18-tetrakis(2-carboxylatoethyl)-3,8,17-tris(carboxylatomethyl)-15-hydroxy-8,13,15-trimethyl-7,8,12,13,14,15,20,24-octahydroporphyrin-13(1),14-carbolactone
CHEBI:27711
chebi:27711 		precorrin-3B
3,3',3'',3'''-(7S,8S,12S,13S,14R,15S)-2,7,12,18-tetrakis(2-carboxyethyl)-3,8,17-tris(carboxymethyl)-15-hydroxy-8,13,15-trimethyl-7,8,12,13,14,15,20,24-octahydroporphyrin-13(1),14-carbolactone
Precorrin 3B
chebi:14872
chebi:26222
chebi:8372
keggC:M_C06406 		secondary/obsolete/fantasy identifier