10-formyl-tetrahydrofolate tri-L-glutamate

Properties Image MNX_ID MNXM723237 reference metacycM:CPD-17116 formula C30H33N9O13 global charge -4 mol weight 727.644 InChIKey UEASZQUTJQWRPJ-BVBHFADKSA-J InChI InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)33-15(11-32-24)12-39(13-40)16-3-1-14(2-4-16)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,15,17-19,33H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,32,37,38,46)/p-4/t15-,17+,18+,19+/m1/s1 SMILES NC1=NC2=C(N[C@@H](CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C=C3)CN2)C(=O)N1 MNX internals InChI (mnx) InChI=1/C30H37N9O13/c31-30-37-24-23(26(46)38-30)33-15(11-32-24)12-39(13-40)16-3-1-14(2-4-16)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,15,17-19,33H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,32,37,38,46)/t15-,17+,18+,19+/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:16]([N:39]([CH2:12][C@H:15]2[CH2:11][NH:32][C:24]3=[C:23]([C:26]([OH:46])=[N:38][C:30](=[NH:31])[NH:37]3)[NH:33]2)[CH:13]=[O:40])=[CH:4][CH:2]=[C:14]1[C:25]([NH:36][C@@H:19]([CH2:6][CH2:9][C:21](=[N:34][C@@H:17]([CH2:5][CH2:8][C:20](=[N:35][C@@H:18]([CH2:7][CH2:10][C:22](=[O:43])[OH:44])[C:28](=[O:49])[OH:50])[OH:41])[C:27](=[O:47])[OH:48])[OH:42])[C:29](=[O:51])[OH:52])=[O:45]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0