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

[CorL polyketide synthase] intermediate X

Properties Image MNX_ID MNXM1562823 reference metacycM:CorL-Intermediate-X formula C44H66N4O14PS*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(C(=O)CC(=O)C(C)CC/C=C/NC(=O)OC)C(=O)/C(C)=C/C=C(\C)CCC/C(C)=C/C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C46H73N4O14PS/c1-11-12-13-17-31(2)18-16-19-32(3)21-22-34(5)41(55)40(38(53)28-37(52)33(4)20-14-15-24-50-45(59)62-10)44(58)66-27-26-48-39(54)23-25-49-43(57)42(56)46(7,8)30-64-65(60,61)63-29-36(47-9)35(6)51/h11-12,15,17,21-22,24,33,36,40,42,47,56H,13-14,16,18-20,23,25-30H2,1-10H3,(H,48,54)(H,49,57)(H,50,59)(H,60,61)/b12-11+,24-15+,31-17+,32-21+,34-22+/t33?,36-,40?,42-/m0/s1/i6+1,9+1 SMILES (mnx) [CH3:1]/[13CH:9]=[CH:10]\[CH2:11]/[CH:15]=[C:30](/[CH3:2])[CH2:16][CH2:14][CH2:17]/[C:31]([CH3:3])=[CH:19]/[CH:20]=[C:33](/[CH3:5])[C:39]([CH:38]([C:36]([CH2:26][C:35]([CH:32]([CH3:4])[CH2:18][CH2:12]/[CH:13]=[CH:22]/[NH:48][C:43](=[O:57])[O:60][CH3:8])=[NH:50])=[O:51])[C:42](=[O:56])[O:64][CH2:25][CH2:24][CH2:46][C:37]([CH2:21][CH2:23][NH:47][C:41]([C@@H:40]([C:44]([13CH3:6])([CH3:7])[CH2:29][O:62][O:63]([OH:58])(=[O:59])[O:61][CH2:28][C@@H:34]([C:27](=[NH:49])[PH2:65])[CH2:45][SH:66])[OH:54])=[O:55])=[O:52])=[O:53]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:CorL-Intermediate-X metacycM:CorL-Intermediate-X	[CorL polyketide synthase] intermediate X (4E,6E,11E,14E)-2-[(7E)-8-[(methoxycarbonyl)amino]-4-methyl-3-oxooct-7-enoyl]-4,7,11-trimethyl-3-oxohexadeca-4,6,11,14-tetraenoyl-[CorL PKS]