(Q105154253)

English

[1-[7-[24-(2-Methylbutanoyloxy)-10,13-dioxo-9,26,27-trioxa-12-azatricyclo[19.4.1.11,22]heptacos-14-en-8-yl]-7-sulfooxyheptoxy]-3-sulfooxypropan-2-yl]sulfamic acid

group of stereoisomers with the chemical formula C₃₈H₆₆N₂O₁₉S₃

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Statements

instance of

group of stereoisomers

0 references

1 reference

950.342190892 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₆₆N₂O₁₉S₃

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canonical SMILES

CCC(C)C(=O)OC1CC2OC3(CCCCCCC(C(CCCCCCOCC(COS(=O)(=O)O)NS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CNC(=O)C=CCCCCCC2O3)C1

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found in taxon

Didemnum guttatum

1 reference

stated in

Cyclodidemniserinol trisulfate, a sulfated serinolipid from the Palauan ascidian Didemnum guttatum that inhibits HIV-1 integrase

Identifiers

InChI

InChI=1S/C38H66N2O19S3/c1-3-28(2)37(43)55-30-23-34-32-18-12-5-4-6-14-20-35(41)39-25-36(42)56-31(17-11-7-9-15-21-38(24-30,57-32)58-34)33(59-62(50,51)52)19-13-8-10-16-22-53-26-29(40-60(44,45)46)27-54-61(47,48)49/h14,20,28-34,40H,3-13,15-19,21-27H2,1-2H3,(H,39,41)(H,44,45,46)(H,47,48,49)(H,50,51,52)

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InChIKey

LNBQDKGIEDBTDS-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LNBQDKGIEDBTDS-UHFFFAOYSA-N

(Q105154253)

[1-[7-[24-(2-Methylbutanoyloxy)-10,13-dioxo-9,26,27-trioxa-12-azatricyclo[19.4.1.11,22]heptacos-14-en-8-yl]-7-sulfooxyheptoxy]-3-sulfooxypropan-2-yl]sulfamic acid

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Identifiers

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