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Chemistry, part 3

Content language

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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 > organic molecule > (2e,6z,9z,12z,15z,18z,21z)-tetracosahepta-2,6,9,12,15,18,21-enoyl-coa
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > (2e,6z,9z,12z,15z,18z,21z)-tetracosahepta-2,6,9,12,15,18,21-enoyl-coa

Preferred term

(2e,6z,9z,12z,15z,18z,21z)-tetracosahepta-2,6,9,12,15,18,21-enoyl-coa  

Type

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

Broader concept

charge

  • 0

formula

  • C45H68N7O17P3S

inchi

  • InChI=1S/C45H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38-,39-,40?,44-/m1/s1

inchikey

  • NVOWZIBKQIWTDG-KQZZOKBYSA-N

mass

  • 1104.04400

monoisotopicmass

  • 1103.36053

smiles

  • CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80480

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