(5Z,7E,9E,11R,12S)-11-[[(2R)-2-Amino-2-carboxyethyl]thio]-12-hydroxy-5,7,9-hexadecatrienedioic acid

CAS Registry Number®

122069-63-0

CAS Name

(5Z,7E,9E,11R,12S)-11-[[(2R)-2-Amino-2-carboxyethyl]thio]-12-hydroxy-5,7,9-hexadecatrienedioic acid

Molecular Formula

C19H29NO7S

Molecular Mass

415.50

Cite this Page

(5Z,7E,9E,11R,12S)-11-[[(2R)-2-Amino-2-carboxyethyl]thio]-12-hydroxy-5,7,9-hexadecatrienedioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122069-63-0 (retrieved 2024-11-08) (CAS RN: 122069-63-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H29NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-4,6,10,14-16,21H,5,7-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,10-6+/t14-,15-,16+/m0/s1

InChIKey

InChIKey=LDJCPGIDJQSRGG-XFJBKEMKSA-N

SMILES

[C@H](SC[C@@H](C(O)=O)N)([C@H](CCCC(O)=O)O)/C=C/C=C/C=C\CCCC(O)=O

Canonical SMILES

O=C(O)CCCC=CC=CC=CC(SCC(N)C(=O)O)C(O)CCCC(=O)O

Other Names for this Substance

  • 5,7,9-Hexadecatrienedioic acid, 11-[[(2R)-2-amino-2-carboxyethyl]thio]-12-hydroxy-, (5Z,7E,9E,11R,12S)-
  • 5,7,9-Hexadecatrienedioic acid, 11-[(2-amino-2-carboxyethyl)thio]-12-hydroxy-, [11R-[5Z,7E,9E,11R*(R*),12S*]]-
  • (5Z,7E,9E,11R,12S)-11-[[(2R)-2-Amino-2-carboxyethyl]thio]-12-hydroxy-5,7,9-hexadecatrienedioic acid

CAS INSIGHTSTM
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