LIPID IVA

CAS No.
CCD No.
CCD00542019
Formula
C68 H130 N2 O23 P2
MolWeight
1405.71

Basic Information

Product Name: LIPID IVA
English Synonyms: LIPID IVA ; COMPOUND 406, LA-14-PP, PRECURSOR LA ; COMPOUND 406 ; PRECURSOR IA ; 2-DEOXY-6-O[2-DEOXY-3-O[(R)-3-HYDROXYTETRADECANOYL]-2-[(R)-3-HYDROXYTETRADECANOYLAMINO]-BETA-D-GLUCOPYRANOSYL]-3-O-[(R)-3-HYDROXYTETRADECANOYL]-2-[(R)-3-HYDROXYTETRADECANOYL-AMINO]-ALPHA-D-GLUCOPYRANOSE 1,4'-DIPHOSPHATE ; LA-14-PP
MDL Number.: MFCD06410980
H bond acceptor: 25
H bond donor: 12
Smile: CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O
InChi: InChI=1S/C68H130N2O23P2/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(90-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)56(89-68(61)93-95(84,85)86)50-87-67-62(70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2)66(64(55(49-71)88-67)92-94(81,82)83)91-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4/h51-56,61-68,71-75,80H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,81,82,83)(H2,84,85,86)/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1
InChiKey: InChIKey=KVJWZTLXIROHIL-QDORLFPLSA-N

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