Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: N-Acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol
RN: 99518-28-2
InChIKey: FOSDGASZBITTMS-IAPUFQLFSA-N

Molecular Formula

  • C49-H81-N5-O12

Molecular Weight

  • 932.202
 
* 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

  • N-Acetylmuramyl-alanyl-isoglutamine-alanyl-cholesterol

Synonyms

  • 3-O-(Mdp-ala)cholesterol
  • Mdp-alanyl-cholesterol
  • Mtp-alanyl-3-O-cholesterol
  • Mtp-chol

Systematic Name

  • L-Alanine, N-(N2-(N-(N-acetylmuramoyl)-L-alanyl)-D-alpha-glutaminyl)-, (3beta)-cholest-5-en-3-yl ester

Registry Numbers

CAS Registry Number

  • 99518-28-2

System Generated Number

  • 0099518282

Structure Descriptors

InChI

1S/C49H81N5O12/c1-26(2)12-11-13-27(3)35-16-17-36-34-15-14-32-24-33(20-22-48(32,8)37(34)21-23-49(35,36)9)66-46(62)29(5)51-40(57)19-18-38(43(50)59)54-44(60)28(4)52-45(61)30(6)65-42(41(58)47(63)64-10)39(25-55)53-31(7)56/h14,25-30,33-39,41-42,47,58,63H,11-13,15-24H2,1-10H3,(H2,50,59)(H,51,57)(H,52,61)(H,53,56)(H,54,60)/t27-,28+,29+,30-,33+,34+,35-,36+,37+,38-,39+,41+,42-,47-,48+,49-/m1/s1

InChIKey

FOSDGASZBITTMS-IAPUFQLFSA-N

Smiles

C1[C@H](OC(=O)[C@@H](NC(=O)CC[C@@H](NC([C@@H](NC([C@@H](C)O[C@H]([C@@H](NC(=O)C)C=O)[C@H](O)[C@@H](OC)O)=O)C)=O)C(N)=O)C)CC=2[C@@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)([C@H](CC2)[C@@H](CCCC(C)C)C)C)C