**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

S-adenosyl-L-methionyl-[ClbH non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1134764 reference metacycM:SAM-ClbH-NRPS formula C29H47N9O12PS2*2 global charge 1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H]([NH3+])CC[S@+](C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C([*])=O MNX internals InChI (mnx) InChI=1/C31H52N9O12PS2/c1-17(41)19(34-4)12-50-53(48,49)51-14-31(2,3)25(45)28(46)36-8-6-21(42)35-9-10-54-30(47)18(32)7-11-55(5)13-20-23(43)24(44)29(52-20)40-16-39-22-26(33)37-15-38-27(22)40/h15-16,18-20,23-25,29,34,43-45H,6-14,32H2,1-5H3,(H4-,33,35,36,37,38,42,46,48,49)/t18-,19-,20+,23+,24+,25-,29+,55-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:17]([C@H:19]([CH2:12][O:50][P:53]([O-:48])(=[O:49])[O:51][CH2:14][C:31]([CH3:2])([CH3:3])[C@H:25]([C:28]([NH:36][CH2:8][CH2:6][C:21]([NH:35][CH2:9][CH2:10][S:54][C:30]([C@H:18]([CH2:7][CH2:11][S@+:55]([CH3:5])[CH2:13][C@@H:20]1[C@@H:23]([OH:43])[C@@H:24]([OH:44])[C@H:29]([n:40]2[cH:16][n:39][c:22]3[c:26]([NH2:33])[n:37][cH:15][n:38][c:27]32)[O:52]1)[NH2:32])=[O:47])=[O:42])=[O:46])[OH:45])[NH:34][13CH3:4])=[O:41]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:SAM-ClbH-NRPS metacycM:SAM-ClbH-NRPS	S-adenosyl-L-methionyl-[ClbH non-ribosomal peptide synthase]