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PUBCHEM_16061159

group of stereoisomers with the chemical formula C₃₁H₅₄N₇O₁₈P₃S
ChemicalSubstance group_of_stereoisomers Q82472806
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PUBCHEM_16061159

Summary

PUBCHEM_16061159 is a group of stereoisomers[1].

Key Facts

  • PUBCHEM_16061159's instance of is recorded as group of stereoisomers[2].
  • PUBCHEM_16061159's CAS Registry Number is recorded as 6245-70-1[3].
  • PUBCHEM_16061159's canonical SMILES is recorded as CCCCCCCC(O)CC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O[4].
  • PUBCHEM_16061159's InChI is recorded as InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24?,25-,26-,30+/m0/s1[5].
  • PUBCHEM_16061159's InChIKey is recorded as HIVSMYZAMUNFKZ-WQUYVQPTSA-N[6].
  • PUBCHEM_16061159's chemical formula is recorded as C₃₁H₅₄N₇O₁₈P₃S[7].
  • PUBCHEM_16061159's subclass of is recorded as chemical compound[8].
  • PUBCHEM_16061159's PubChem CID is recorded as 16061159[9].
  • PUBCHEM_16061159's isomeric SMILES is recorded as CCCCCCCC@HCC(=O)SCCNC(=O)CCNC(=O)C@HC(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1OC@@HC(O)[C@H]1OP(=O)(O)OC@HCC(=O)SCCNC(=O)CCNC(=O)C@HC(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1OC@@HC(O)[C@H]1OP(=O)(O)O">[10].
  • PUBCHEM_16061159's Human Metabolome Database ID is recorded as HMDB0003938[11].
  • PUBCHEM_16061159's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+937.245888778'}[12].
  • PUBCHEM_16061159's SureChEMBL ID is recorded as 2513997[13].
  • PUBCHEM_16061159's DSSTox substance ID is recorded as DTXSID30581615[14].
  • PUBCHEM_16061159's DSSTOX compound identifier is recorded as DTXCID90532380[15].
  • PUBCHEM_16061159's UniChem compound ID is recorded as 31995736[16].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . wikidata.org.
  3. [4] ↑ . wikidata.org.
  4. [5] ↑ . wikidata.org.
  5. [6] ↑ . wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . wikidata.org.
  8. [9] ↑ . PubChem. Retrieved . wikidata.org.
  9. [10] ↑ . wikidata.org.
  10. [11] ↑ . wikidata.org.
  11. [12] ↑ . wikidata.org.
  12. [13] ↑ . wikidata.org.
  13. [14] ↑ . wikidata.org.
  14. [15] ↑ . wikidata.org.
  15. [16] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). PUBCHEM_16061159. Retrieved May 3, 2026, from https://4ort.xyz/entity/pubchem-16061159
MLA “PUBCHEM_16061159.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/pubchem-16061159.
BibTeX @misc{4ortxyz_pubchem-16061159_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{PUBCHEM_16061159}}, year = {2026}, url = {https://4ort.xyz/entity/pubchem-16061159}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): PUBCHEM_16061159 — https://4ort.xyz/entity/pubchem-16061159 (retrieved 2026-05-03)

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