(5S,6R,7E,9E,11Z,13E,15S)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5,15-dihydroxy-7,9,11,13-icosatetraenoic acid
[CAS# 85963-48-0]

Identification

• Name: (5S,6R,7E,9E,11Z,13E,15S)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5,15-dihydroxy-7,9,11,13-icosatetraenoic acid
• Synonyms: (5S,6R,7E,9E,11Z,13E,15S)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5,15-dihydroxyicosa-7,9,11,13-tetraenoic acid; (5S,6R,7E,9E,11Z,13E,15S)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5,15-dihydroxyicosa-7,9,11,13-tetraenoic acid; S-{(1R,2E,4E,6Z,8E,10S)-1-[(1S)-4-carboxy-1-hydroxybutyl]-10-hydroxypentadeca-2,4,6,8; (5S,6R,7E,9E,11Z,13E,15S)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5,15-dihydroxyicosa-7,9,11,13-tetraenoic acid; S-{(1R,2E,4E,6Z,8E,10S)-1-[(1S)-4-carboxy-1-hydroxybutyl]-10-hydroxypentadeca-2,4,6,8-tetraen-1-yl}-L-cysteine
• Molecular Formula: C₂₃H₃₇NO₆S
• Molecular Weight: 455.61
• CAS Registry Number: 85963-48-0
• SMILES: O=C(O)[C@@H](N)CS[C@H](\C=C\C=C\C=C/C=C/[C@@H](O)CCCCC)[C@@H](O)CCCC(=O)O
• InChI: 1S/C23H37NO6S/c1-2-3-8-12-18(25)13-9-6-4-5-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h4-7,9-10,13,15,18-21,25-26H,2-3,8,11-12,14,16-17,24H2,1H3,(H,27,28)(H,29,30)/b6-4-,7-5+,13-9+,15-10+/t18-,19-,20-,21+/m0/s1
• InChIKey: KVXVULITEYDTNN-HGCWDHQMSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 713.834°C at 760 mmHg (Cal.)
• Flash point: 385.513°C (Cal.)