EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:62522 - 2-O-α-L-rhamnosyl-α-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoate

ChEBI IDCHEBI:62522
ChEBI Name2-O-α-L-rhamnosyl-α-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoate
Stars
ASCII Name2-O-alpha-L-rhamnosyl-alpha-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoate
DefinitionThe monocarboxylic acid anion formed by loss of a proton from the carboxy group of 2-O-α-L-rhamnosyl-α-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid; principal microspecies at pH 7.3.
Last Modified8 July 2011
SubmitterAnne Morgat
DownloadsMolfile
FormulaC32H57O13
Net Charge-1
Average Mass649.795
Monoisotopic Mass649.38047
SMILESCCCCCCCC(CC(=O)[O-])OC(=O)CC(CCCCCCC)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C32H58O13/c1-5-7-9-11-13-15-21(17-23(33)34)43-24(35)18-22(16-14-12-10-8-6-2)44-32-30(28(39)26(37)20(4)42-32)45-31-29(40)27(38)25(36)19(3)41-31/h19-22,25-32,36-40H,5-18H2,1-4H3,(H,33,34)/p-1/t19-,20-,21?,22?,25-,26-,27+,28+,29+,30+,31-,32-/m0/s1
InChIKeyFCBUKWWQSZQDDI-SESCQDRSSA-M
ChEBI Ontology
Outgoing Relation(s)
2-O-α-L-rhamnosyl-α-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoate (CHEBI:62522) is a monocarboxylic acid anion (CHEBI:35757)
2-O-α-L-rhamnosyl-α-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoate (CHEBI:62522) is conjugate base of 2-O-α-L-rhamnosyl-α-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid (CHEBI:62570)
Incoming Relation(s)
2-O-α-L-rhamnosyl-α-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid (CHEBI:62570) is conjugate acid of 2-O-α-L-rhamnosyl-α-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoate (CHEBI:62522)
IUPAC Name 
3-[(3-{[6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranosyl]oxy}decanoyl)oxy]decanoate
Synonyms  Source
2-O-rhamnopyranosyl-rhamnopyranosyl-3-hydroxyldecanoyl-3-hydroxydecanoate (1−)SUBMITTER
RHAMNOLIPID R-1SUBMITTER
L-rhamnosyl-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoate(1−)ChEBI