**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:29]([CH3:2])([CH2:13][O:49][O:51]([OH:46])(=[O:47])[O-:48][CH2:11][CH:16]([C:10](=[NH:39])[SH:54])[CH2:30][SH2+:55])[CH:23]([C:26]([NH:34][CH2:6][13CH2:4][C:19]([NH:33][CH2:7][CH2:8][O:52][C:28]([C@@H:17]([CH2:5][CH2:9][P@@:53]([CH3:3])[CH2:12][C@@H:18]1[C@H:21]([OH:41])[C@H:22]([OH:42])[C@@H:27]([n:38]2[cH:15][n:37][c:20]3[c:24]([NH2:32])[n:35][cH:14][n:36][c:25]32)[O:50]1)[CH3:31])=[O:45])=[NH:40])=[O:44])[OH:43]

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]