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FR901465

PropertiesImage
MNX_IDMNXM105227 Image of MNXM105227
referencechebi:65916
formulaC27H41NO9
global charge0
mol weight523.623
InChIKeyDQTXAXNYLWRTPB-NTVXLVODSA-N
InChIInChI=1S/C27H41NO9/c1-15(8-11-22-24(31)27(14-34-27)25(32)26(6,33)37-22)7-10-21-16(2)13-20(18(4)36-21)28-23(30)12-9-17(3)35-19(5)29/h7-9,11-12,16-18,20-22,24-25,31-33H,10,13-14H2,1-6H3,(H,28,30)/b11-8+,12-9-,15-7+/t16-,17-,18+,20+,21-,22+,24+,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@H](O)[C@@]3(CO3)[C@@H]2O)O[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C27H41NO9/c1-15(8-11-22-24(31)27(14-34-27)25(32)26(6,33)37-22)7-10-21-16(2)13-20(18(4)36-21)28-23(30)12-9-17(3)35-19(5)29/h7-9,11-12,16-18,20-22,24-25,31-33H,10,13-14H2,1-6H3,(H,28,30)/b11-8+,12-9-,15-7+/t16-,17-,18+,20+,21-,22+,24+,25-,26-,27+/m0/s1 Image of MNXM105227
SMILES (mnx)[CH3:1][C:15](=[CH:7]\[CH2:10][C@H:21]1[C@@H:16]([CH3:2])[CH2:13][C@@H:20](/[N:28]=[C:23](/[CH:12]=[CH:9]\[C@H:17]([CH3:3])[O:35][C:19]([CH3:5])=[O:29])[OH:30])[C@@H:18]([CH3:4])[O:36]1)/[CH:8]=[CH:11]/[C@@H:22]1[C@@H:24]([OH:31])[C@:27]2([CH2:14][O:34]2)[C@@H:25]([OH:32])[C@@:26]([CH3:6])([OH:33])[O:37]1
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:65916
chebi:65916
DQTXAXNYLWRTPB-NTVXLVODSA-N 		FR901465
(2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-dimethyl-6-{(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]penta-2,4-dien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate

lipidmaps:LMFA08020178
lipidmapsM:LMFA08020178
DQTXAXNYLWRTPB-NTVXLVODSA-N 		FR901465
(2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-dimethyl-6-{(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]penta-2,4-dien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate
NA 27:7
O8