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FR901464

PropertiesImage
MNX_IDMNXM105226 Image of MNXM105226
referencechebi:65915
formulaC27H41NO8
global charge0
mol weight507.624
InChIKeyPJKVJJDQXZARCA-QHYZBLTGSA-N
InChIInChI=1S/C27H41NO8/c1-16(8-11-23-25(31)27(15-33-27)14-26(6,32)36-23)7-10-22-17(2)13-21(19(4)35-22)28-24(30)12-9-18(3)34-20(5)29/h7-9,11-12,17-19,21-23,25,31-32H,10,13-15H2,1-6H3,(H,28,30)/b11-8+,12-9-,16-7+/t17-,18-,19+,21+,22-,23+,25+,26-,27+/m0/s1
SMILESCC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@](C)(O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C27H41NO8/c1-16(8-11-23-25(31)27(15-33-27)14-26(6,32)36-23)7-10-22-17(2)13-21(19(4)35-22)28-24(30)12-9-18(3)34-20(5)29/h7-9,11-12,17-19,21-23,25,31-32H,10,13-15H2,1-6H3,(H,28,30)/b11-8+,12-9-,16-7+/t17-,18-,19+,21+,22-,23+,25+,26-,27+/m0/s1 Image of MNXM105226
SMILES (mnx)[CH3:1][C:16](=[CH:7]\[CH2:10][C@H:22]1[C@@H:17]([CH3:2])[CH2:13][C@@H:21](/[N:28]=[C:24](/[CH:12]=[CH:9]\[C@H:18]([CH3:3])[O:34][C:20]([CH3:5])=[O:29])[OH:30])[C@@H:19]([CH3:4])[O:35]1)/[CH:8]=[CH:11]/[C@@H:23]1[C@@H:25]([OH:31])[C@@:27]2([CH2:14][C@@:26]([CH3:6])([OH:32])[O:36]1)[CH2:15][O:33]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65915
chebi:65915
PJKVJJDQXZARCA-QHYZBLTGSA-N 		FR901464
(2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate

lipidmaps:LMFA08020177
lipidmapsM:LMFA08020177
PJKVJJDQXZARCA-QHYZBLTGSA-N 		FR901464
(2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate
NA 27:7
O7