α, α'-trehalose 6,6'-bismycolate
Chemical Formula:
C168H322O15
Molecular Weight:
2582.383 Daltons
Monoisotopic Mass:
2580.4433796677 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(C(C3O)O)O)OC4(C(C(C(C(O4)CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC6(CC(CCCCCCCCCCC5(CC(CCCCCCCCCCCCCCCCCC)5))6))C(=O)O)O)O)O))
InChI:
1S/C168H322O15/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-38-42-45-48-53-62-71-80-97-110-123-136-154(156(170)138-125-112-99-82-73-64-56-60-69-78-91-104-117-130-148-143-152(148)134-121-108-95-87-85-93-106-119-132-150-141-146(150)128-115-102-89-76-67-58-51-30-27-24-21-18-15-12-9-6-3)166(179)180-144-158-160(172)162(174)164(176)168(182-158)183-167-163(175)161(173)159(171)157(181-167)139-126-113-100-83-74-65-54-49-46-43-40-37-35-36-39-41-44-47-52-61-70-79-96-109-122-135-153(165(177)178)155(169)137-124-111-98-81-72-63-55-59-68-77-90-103-116-129-147-142-151(147)133-120-107-94-86-84-92-105-118-131-149-140-145(149)127-114-101-88-75-66-57-50-29-26-23-20-17-14-11-8-5-2/h145-164,167-176H,4-144H2,1-3H3,(H,177,178)/t145?,146?,147?,148?,149?,150?,151?,152?,153?,154?,155-,156-,157-,158-,159-,160-,161+,162+,163-,164-,167-,168-/m1/s1
InChIKey:
Synonyms
- trehalose 6,6'-dimycolate
Databases
MetaCyc:
ALPHAALPHA-TREHALOSE-66-BISMYCOLATE
PubChem (CID):
90657559
LIPID MAPS:
LMFA01160002
ChEBI:
18195
KEGG:
C04465
Seed:
cpd02725
MetaNetX:
MNXM5044