Search MNXref
 Feedback

glucobrassicanapin(1-)

MNXM18125 is deprecated and here replaced by MNXM1371369
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371369 Image of MNXM1371369
referencechebi:5397
formulaC12H20NO9S2
global charge-1
mol weight386.424
InChIKeyXMJFVIGTHMOGNZ-AHMUMSBHSA-M
InChIInChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/p-1/b13-8-/t7-,9-,10+,11-,12+/m1/s1
SMILESC=CCCC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/b13-8-/t7-,9-,10+,11-,12+/m1/s1 Image of MNXM1371369
SMILES (mnx)[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5]/[C:8](=[N:13]/[O:22][S:24]([OH:18])(=[O:19])=[O:20])[S:23][C@H:12]1[C@H:11]([OH:17])[C@@H:10]([OH:16])[C@H:9]([OH:15])[C@@H:7]([CH2:6][OH:14])[O:21]1
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
IdentifierDescription

CHEBI:5397
chebi:5397
XMJFVIGTHMOGNZ-AHMUMSBHSA-M 		glucobrassicanapin(1-)
1-S-[(1Z)-N-(sulfonatooxy)hex-5-enimidoyl]-1-thio-beta-D-glucopyranose
4-pentenylglucosinolate
pent-4-enylglucosinolate

seed.compound:cpd05315
seedM:cpd05315
XMJFVIGTHMOGNZ-AHMUMSBHSA-M 		Glucobrassicanapin
4-Pentenyl glucosinolate
4-pentenyl-glucosinolate
4-pentenylglucosinolate

CHEBI:79318
chebi:79318
XMJFVIGTHMOGNZ-AHMUMSBHSA-N 		glucobrassicanapin
1-S-[(1Z)-N-(sulfooxy)hex-5-enimidoyl]-1-thio-beta-D-glucopyranose
4-Pentenyl glucosinolate

metacyc.compound:CPDQT-422
metacycM:CPDQT-422
XMJFVIGTHMOGNZ-AHMUMSBHSA-M 		glucobrassicanapin
4-pentenyl-glucosinolate

seedM:M_cpd05315 		secondary/obsolete/fantasy identifier