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CHEBI:204719 - JU-2

ChEBI IDCHEBI:204719
ChEBI NameJU-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H117N2O20P
Net Charge0
Average Mass1373.707
Monoisotopic Mass1372.79373
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC1OC(CO)C(OC2OC(COP(=O)(O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C73H117N2O20P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-41-47-62(77)89-52-57(92-63(78)48-42-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2)53-90-72-68(83)66(81)69(60(51-76)93-72)95-73-67(82)65(80)64(79)61(94-73)54-91-96(87,88)75-58(49-55-43-37-35-38-44-55)70(84)74-59(71(85)86)50-56-45-39-36-40-46-56/h12,14,17-19,23,35-40,43-46,57-61,64-69,72-73,76,79-83H,3-11,13,15-16,20-22,24-34,41-42,47-54H2,1-2H3,(H,74,84)(H,85,86)(H2,75,87,88)/b14-12-,19-17-,23-18-/t57?,58-,59-,60?,61?,64?,65?,66?,67?,68?,69?,72?,73?/m0/s1
InChIKeyCVVKHNNBSZQKLZ-BVELFOHQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces kanamyceticus (ncbitaxon:1967) - PubMed (12562027)
ChEBI Ontology
Outgoing Relation(s)
JU-2 (CHEBI:204719) is a glycosylglycerol derivative (CHEBI:63427)
IUPAC Name 
(2S)-2-[[(2S)-2-[[[6-[6-[3-[(Z)-docos-13-enoyl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
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