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Substance Name: (All-E) phytoene
RN: 540-04-5
UNII: 87E4NJ6N51
InChIKey: YVLPJIGOMTXXLP-KEKOKYSKSA-N

Note

  • C40 carotenoid biosynthesized in bacteria.

Molecular Formula

  • C40-H64

Molecular Weight

  • 544.9456
 
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Names and Synonyms

Name of Substance

  • (All-E) phytoene

Synonyms

  • 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene
  • all-trans-Phytoene
  • NSC 378840
  • Phytoene
  • UNII-87E4NJ6N51

Systematic Name

  • psi,psi-Carotene, 7,7',8,8',11,11',12,12'-octahydro-

Registry Numbers

CAS Registry Number

  • 540-04-5

FDA UNII

  • 87E4NJ6N51

System Generated Number

  • 0000540045

Structure Descriptors

InChI

1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

InChIKey

YVLPJIGOMTXXLP-KEKOKYSKSA-N

Smiles

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C