(Q105025409)

English

3-[[7alpha-Hydroxy-24-oxo-3beta-[[3-[(4-aminobutyl)amino]propyl]amino]-5alpha-cholestane-26-yl]thio]-2-aminopropanoic acid

group of stereoisomers with the chemical formula C₃₇H₆₈N₄O₄S

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instance of

group of stereoisomers

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1 reference

1 reference

664.496127656 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₈N₄O₄S

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canonical SMILES

O=C(O)C(N)CSCC(C(=O)CCC(C)C1CCC2C3C(O)CC4CC(NCCCNCCCCN)CCC4(C)C3CCC12C)C

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isomeric SMILES

CC(CSCC(N)C(=O)O)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](NCCCNCCCCN)C[C@@H]1C[C@H]3O

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Identifiers

InChI

InChI=1S/C37H68N4O4S/c1-24(8-11-32(42)25(2)22-46-23-31(39)35(44)45)28-9-10-29-34-30(13-15-37(28,29)4)36(3)14-12-27(20-26(36)21-33(34)43)41-19-7-18-40-17-6-5-16-38/h24-31,33-34,40-41,43H,5-23,38-39H2,1-4H3,(H,44,45)/t24-,25?,26-,27+,28-,29+,30+,31?,33-,34+,36+,37-/m1/s1

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InChIKey

HBOQOYRDTBMRAJ-UDOOUEJRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HBOQOYRDTBMRAJ-UDOOUEJRSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

HBOQOYRDTBMRAJ-UDOOUEJRSA-N

(Q105025409)

3-[[7alpha-Hydroxy-24-oxo-3beta-[[3-[(4-aminobutyl)amino]propyl]amino]-5alpha-cholestane-26-yl]thio]-2-aminopropanoic acid

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