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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > pkddia-ps

Preferred term

pkddia-ps  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C34H60NO13P

inchi

  • InChI=1S/C34H60NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-32(39)45-25-29(26-46-49(43,44)47-27-30(35)34(41)42)48-33(40)22-19-16-13-14-17-20-28(36)23-24-31(37)38/h23-24,29-30H,2-22,25-27,35H2,1H3,(H,37,38)(H,41,42)(H,43,44)/b24-23+/t29-,30+/m1/s1

inchikey

  • DKZIWZNHQKKQPC-ZSUVMSPYSA-N

mass

  • 721.822

monoisotopicmass

  • 721.38023

smiles

  • P(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O

subset

  • 2_STAR

synonym EXACT

  • (E)-12-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4,12-dioxododec-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230647

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