Search MNXref
 Feedback

squamostatin-A

PropertiesImage
MNX_IDMNXM109001 Image of MNXM109001
referencechebi:68973
formulaC37H66O8
global charge0
mol weight638.927
InChIKeyHKIHGTSLUYNNHM-LIASLPPCSA-N
InChIInChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29-,30+,31-,32-,33+,34-,35+,36+/m0/s1
SMILESCCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CC[C@H](O)[C@@H]2CC[C@@H](CCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1
MNX internals
InChI (mnx)InChI=1/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29-,30+,31-,32-,33+,34-,35+,36+/m0/s1 Image of MNXM109001
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:12][CH2:16][C@@H:29]([CH2:17][CH2:14][CH2:19][C@@H:31]([C@H:35]1[CH2:24][CH2:25][C@H:36]([C@@H:33]([CH2:22][CH2:21][C@@H:32]([C@@H:34]2[CH2:23][CH2:20][C@@H:30]([CH2:18][CH2:13][CH2:10][CH2:8][CH2:6][CH2:7][CH2:9][CH2:11][CH2:15][C:28]3=[CH:26][C@H:27]([CH3:2])[O:43][C:37]3=[O:42])[O:44]2)[OH:40])[OH:41])[O:45]1)[OH:39])[OH:38]
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:68973
chebi:68973
HKIHGTSLUYNNHM-LIASLPPCSA-N 		squamostatin-A
(5S)-3-(9-{(2R,5S)-5-[(1S,4R)-4-{(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-1,4-dihydroxybutyl]tetrahydro-2-furanyl}nonyl)-5-methyl-2(5H)-furanone
hmdb:HMDB0033423
HKIHGTSLUYNNHM-UHFFFAOYSA-N 		12,15-cis-Squamostatin A
3-[9-(5-{4-[5-(1,5-dihydroxyundecyl)oxolan-2-yl]-1,4-dihydroxybutyl}oxolan-2-yl)nonyl]-5-methyl-2,5-dihydrofuran-2-one
3-[9-(5-{4-[5-(1,5-dihydroxyundecyl)oxolan-2-yl]-1,4-dihydroxybutyl}oxolan-2-yl)nonyl]-5-methyl-5H-furan-2-one

hmdb:HMDB33423 		secondary/obsolete/fantasy identifier