(Q105145229)

English

PI(18:0/20:4(5Z,8Z,11Z,14Z))

group of stereoisomers with the chemical formula C₄₇H₈₃O₁₃P

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

886.557129346 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₈₃O₁₃P

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canonical SMILES

O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC

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isomeric SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O

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found in taxon

Streptomyces sporangiiformans

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stated in

Characterization of Streptomyces sporangiiformans sp. nov., a Novel Soil Actinomycete with Antibacterial Activity against Ralstonia solanacearum

Identifiers

InChI

InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42?,43-,44+,45-,46-,47?/m1/s1

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InChIKey

KRTOMQDUKGRFDJ-ZWTKVEACSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KRTOMQDUKGRFDJ-ZWTKVEACSA-N

1 reference

(Q105145229)

PI(18:0/20:4(5Z,8Z,11Z,14Z))

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