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alpha,alpha'-trehalose 6,6'-bismycolate

MNXM5044 is deprecated and here replaced by MNXM737336
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM737336Image of MNXM737336
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
formulaC76H142O15
charge0
mass1295.03487
referencechebi:18195
InChIKeyVTTNQXWXPJHFRB-DJPNOUAQSA-N
InChIInChI=1S/C76H142O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,61-72,75-84H,5-24,27-28,31-60H2,1-4H3/b29-25+,30-26+/t61?,62?,63?,64?,65-,66-,67-,68-,69+,70+,71-,72-,75-,76-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCC)C(O)CCCCCCC/C=C/CCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:18195
chebi:18195 		alpha,alpha'-trehalose 6,6'-bismycolate
6-O-[(11E)-3-hydroxy-2-tetradecyloctadec-11-enoyl]-alpha-D-glucopyranosyl 6-O-[(11E)-3-hydroxy-2-tetradecyloctadec-11-enoyl]-alpha-D-glucopyranoside
alpha,alpha'-Trehalose 6,6'-bismycolate
kegg.compound:C04465
keggC:C04465 		alpha,alpha'-Trehalose 6,6'-bismycolate
seed.compound:cpd02725
seedM:cpd02725 		alpha,alpha'-Trehalose 6,6'-bismycolate
alpha, alpha'-trehalose 6,6'-bismycolate
trehalose 6,6'-dimycolate
chebi:10198
chebi:12282
chebi:22362
keggC:M_C04465
seedM:M_cpd02725 		secondary/obsolete/fantasy identifier