CHEBI:26828 - sulfolipid I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sulfolipid I
ChEBI ID CHEBI:26828
Definition The principal sulfolipid class of virulent human Mycobacterium tuberculosis strain H(37)Rv.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C148H286O20S
Net Charge 0
Average Mass 2417.90700
Monoisotopic Mass 2416.10832
InChI InChI=1S/C148H286O20S/c1-29-33-37-41-45-49-53-57-61-62-66-70-74-78-82-109(5)86-110(6)87-111(7)88-112(8)89-115(11)94-120(16)100-126(22)105-131(27)145(156)162-108-136-139(153)141(166-146(157)132(28)106-127(23)101-122(18)96-117(13)91-114(10)93-119(15)98-124(20)103-129(25)134(150)84-80-76-72-68-64-59-55-51-47-43-39-35-31-3)143(165-137(151)85-81-77-73-69-65-60-56-52-48-44-40-36-32-4)148(164-136)167-147-142(168-169(158,159)160)140(154)138(152)135(163-147)107-161-144(155)130(26)104-125(21)99-121(17)95-116(12)90-113(9)92-118(14)97-123(19)102-128(24)133(149)83-79-75-71-67-63-58-54-50-46-42-38-34-30-2/h109-136,138-143,147-150,152-154H,29-108H2,1-28H3,(H,158,159,160)/t109-,110-,111-,112-,113+,114+,115-,116-,117-,118+,119+,120-,121-,122-,123+,124+,125-,126-,127-,128+,129+,130-,131-,132-,133+,134+,135+,136+,138+,139+,140-,141-,142+,143+,147+,148+/m0/s1
InChIKey VVUBWEWWCKPWSI-XCRVQMKQSA-N
SMILES CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC)[C@@H]1O
ChEBI Ontology
Outgoing sulfolipid I (CHEBI:26828) has functional parent α,α-trehalose (CHEBI:16551)
sulfolipid I (CHEBI:26828) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
sulfolipid I (CHEBI:26828) is a sulfoglycolipid (CHEBI:26829)
sulfolipid I (CHEBI:26828) is conjugate acid of sulfolipid-1(1−) (CHEBI:60094)
Incoming sulfolipid-1(1−) (CHEBI:60094) is conjugate base of sulfolipid I (CHEBI:26828)
IUPAC Name
6-O-[(2S,4S,6S,8S,10R,12R,14R,16R,17R)-17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl]-2-O-sulfo-α-D-glucopyranosyl 3-O-[(2S,4S,6S,8S,10R,12R,14R,16R,17R)-17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl]-6-O-[(2S,4S,6S,8S,10S,12S,14S,16S)-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl]-2-O-hexadecanoyl-α-D-glucopyranoside
Synonym Source
2-Palmitoyl-3-phthioceranoyl-6,6'-bis(hydroxyphthioceranoyl) trehalose-2'-sulfate ChemIDplus
Registry Number Type Source
53580-08-8 CAS Registry Number ChemIDplus
Last Modified
06 July 2011