sn-Caldito-1-phosphoethanolamine
Molecular Formula:
C94H190NO15P
InChI: InChI=1/C94H190NO15P/c1-72-29-17-33-76(5)41-25-49-84(13)57-62-105-68-88(69-110-111(103,104)109-66-61-95)107-64-59-86(15)51-27-43-78(7)35-19-31-74(3)39-23-47-82(11)55-53-81(10)46-22-38-73(2)30-18-34-77(6)42-26-50-85(14)58-63-106-70-90(92(100)94(102,71-97)93(101)91(99)89(98)67-96)108-65-60-87(16)52-28-44-79(8)36-20-32-75(4)40-24-48-83(12)56-54-80(9)45-21-37-72/h72-93,96-102H,17-71,95H2,1-16H3,(H,103,104)/t72-,73-,74-,75-,76+,77+,78+,79+,80-,81-,82-,83-,84+,85+,86+,87+,88u,89?,90?,91?,92?,93?,94?/m1/s1/f/h103H
InChIKey: InChIKey=ZRYNJPRVBZUGKC-NBITVOTRDR
SMILES: CC1CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCC1)C)C)C)C)C)C(C(CO)(C(C(C(CO)O)O)O)O)O)C)C)C)C)C)C)C)C)COP(=O)(O)OCCN)C)C
Names:
C13897
sn-Caldito-1-phosphoethanolamine
2-aminoethoxy-[[(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-[1,2,3,4,5,6-hexahydroxy-2-(hydroxymethyl)hexyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methoxy]phosphinic acid
Registries:
PubChem CID 5388888
PubChem ID 854142
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