Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Apratoxin B
RN: 444885-29-4
InChIKey: GXLXNTOXTMCKBW-KDNOUZKYSA-N

Note

  • Isolated from Lyngbya species.

Molecular Formula

  • C44-H67-N5-O8-S

Molecular Weight

  • 844.1211
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Apratoxin B

Synonym

  • Apratoxin B

Systematic Name

  • L-Proline, N-((2E)-3-((4S)-2-((1S,2S,4S,6S)-2,6-dihydroxy-1,4,7,7-tetramethyloctyl)-4,5-dihydro-4-thiazolyl)-2-methyl-1-oxo-2-propenyl)-O-methyl-L-tyrosyl-N-methyl-L-alanyl-L-isoleucyl-, (4-16)-lactone

Registry Numbers

CAS Registry Number

  • 444885-29-4

System Generated Number

  • 0444885294

Structure Descriptors

InChI

1S/C44H69N5O9S/c1-12-26(3)36(48-39(54)29(6)45-10)41(55)49-19-13-18-44(49,42(56)57)37(52)33(23-30-14-16-32(58-11)17-15-30)47-38(53)27(4)22-31-24-59-40(46-31)28(5)34(50)20-25(2)21-35(51)43(7,8)9/h14-17,22,25-26,28-29,31,33-36,45,50-51H,12-13,18-21,23-24H2,1-11H3,(H,47,53)(H,48,54)(H,56,57)/b27-22+/t25-,26-,28-,29-,31?,33-,34-,35-,36-,44+/m0/s1

InChIKey

GXLXNTOXTMCKBW-KDNOUZKYSA-N

Smiles

[C@@]1(N(C(=O)[C@@H](NC(=O)[C@@H](NC)C)[C@H](CC)C)CCC1)(C(=O)[C@@H](NC(=O)/C(=C/C1N=C([C@H]([C@H](C[C@@H](C[C@@H](C(C)(C)C)O)C)O)C)SC1)C)Cc1ccc(cc1)OC)C(=O)O