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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:N-palmitoyl-S-[2,3-bis(palmitoyloxy)propyl]-Cys-Ser-Lys-Lys-Lys-Lys
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Accession:CHEBI:134411 term browser browse the term
Definition:A triacyl lipopeptide that is N-palmitoyl-Cys-Ser-Lys-Lys-Lys-Lys in which the side-chain thiol hydrogen on the Cys residue has been replaced by a 2,3-bis(palmitoyloxy)propyl group.
Synonyms:exact_synonym: S-[2,3-bis(hexadecanoyloxy)propyl]-N-tetradecanoyl-L-cysteinyl-L-seryl-L-lysyl-L-lysyl-L-lysyl-L-lysine
 related_synonym: Formula=C79H152N10O13S;   InChI=1S/C79H152N10O13S/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-54-72(92)101-61-64(102-73(93)55-40-37-34-31-28-25-23-20-17-14-11-8-5-2)62-103-63-70(84-71(91)53-38-35-32-29-26-21-18-15-12-9-6-3)78(98)89-69(60-90)77(97)87-66(50-42-46-57-81)75(95)85-65(49-41-45-56-80)74(94)86-67(51-43-47-58-82)76(96)88-68(79(99)100)52-44-48-59-83/h64-70,90H,4-63,80-83H2,1-3H3,(H,84,91)(H,85,95)(H,86,94)(H,87,97)(H,88,96)(H,89,98)(H,99,100)/t64?,65-,66-,67-,68-,69-,70-/m0/s1;   InChIKey=ACYXXCRNFRQHBB-RXUNMRDHSA-N;   N-Palmitoyl-S-(2,3-bis(palmitoyloxy)propyl)cysteinyl-seryl-lysyl-lysyl-lysyl-lysine;   N-hexadecanoyl-S-[2,3-bis(hexadecanoyloxy)propyl]-Cys-Ser-Lys-Lys-Lys-Lys;   Pam(3)-cys-ser-(lys)(4);   Pam3CSK4;   SMILES=C(CCCCCCCC)CCCCC(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CCCCN)=O)CCCCN)=O)CCCCN)=O)CO)CSCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)=O;   Tripalmitoyl-cysteinyl-seryl-lysine(4)
 xref: CAS:112208-00-1;   PMID:17578764;   PMID:18644025;   PMID:19617307;   PMID:20081527;   PMID:20808895;   PMID:22351935;   PMID:23073139;   PMID:23298864;   PMID:23826757;   PMID:24375077;   PMID:24489933;   PMID:24799523;   PMID:25378593;   PMID:25398056;   PMID:25738770;   PMID:25912722;   PMID:26026246;   PMID:26190752;   PMID:26927383;   PMID:26974438;   PMID:27563808;   PMID:27620721;   PMID:27794068;   PMID:28078083;   PMID:28288677;   PMID:28374588;   PMID:28407632;   PMID:28419983;   PMID:28445714

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  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          peptide antibiotic 0
            lipopeptide antibiotic 0
              N-palmitoyl-S-[2,3-bis(palmitoyloxy)propyl]-Cys-Ser-Lys-Lys-Lys-Lys 0
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  CHEBI ontology 0
    subatomic particle 0
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                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              peptide 0
                                                peptide antibiotic 0
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                                                    N-palmitoyl-S-[2,3-bis(palmitoyloxy)propyl]-Cys-Ser-Lys-Lys-Lys-Lys 0
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