3-[(2S,3R,4R,5R,6R)-4-[2-(dodecanoylamino)acetyl]oxy-6-[[(2R,3R,4R,5R,6R)-4-[2-(dodecanoylamino)acetyl]oxy-6-(hydroxymethyl)-5-phosphonooxy-3-(tetradecanoylamino)oxan-2-yl]oxymethyl]-5-hydroxy-3-(tetradecanoylamino)oxan-2-yl]oxypentanedioic acid
Molecular Formula:
C73H133N4O22P
InChI: InChI=1/C73H133N4O22P/c1-5-9-13-17-21-25-27-31-35-39-43-47-60(81)76-66-70(97-64(87)51-74-58(79)45-41-37-33-29-23-19-15-11-7-3)68(89)57(96-73(66)94-55(49-62(83)84)50-63(85)86)54-93-72-67(77-61(82)48-44-40-36-32-28-26-22-18-14-10-6-2)71(69(56(53-78)95-72)99-100(90,91)92)98-65(88)52-75-59(80)46-42-38-34-30-24-20-16-12-8-4/h55-57,66-73,78,89H,5-54H2,1-4H3,(H,74,79)(H,75,80)(H,76,81)(H,77,82)(H,83,84)(H,85,86)(H2,90,91,92)/t56-,57-,66-,67-,68-,69-,70-,71-,72-,73+/m1/s1/f/h74-77,83,85,90-91H
InChIKey: InChIKey=UJHMVJBHIMKLDF-QXPZEJQUDN
SMILES: CCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OC(CC(=O)O)CC(=O)O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)OC(=O)CNC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC)O)OC(=O)CNC(=O)CCCCCCCCCCC
Names:
3-[(2S,3R,4R,5R,6R)-4-[2-(dodecanoylamino)acetyl]oxy-6-[[(2R,3R,4R,5R,6R)-4-[2-(dodecanoylamino)acetyl]oxy-6-(hydroxymethyl)-5-phosphonooxy-3-(tetradecanoylamino)oxan-2-yl]oxymethyl]-5-hydroxy-3-(tetradecanoylamino)oxan-2-yl]oxypentanedioic acid
Registries:
PubChem CID 119592
PubChem ID 10238554
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|