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CIGB-300 - Ontology Report - Rat Genome Database

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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:CIGB-300
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Accession:CHEBI:83696 term browser browse the term
Definition:A synthetic 25-membered heterodetic cyclic peptide consisting of a 14-membered linear component attached to an 11-membered cyclic portion. A CK2 inhibitor with potential antineoplastic activity.
Synonyms:related_synonym: Formula=C127H215N53O30S3;   InChI=1S/C127H215N53O30S3/c1-66(2)55-84-100(189)157-61-97(187)177-98(67(3)182)116(205)176-89(120(209)210)64-213-212-63-88(113(202)173-85(56-68-59-156-71-22-6-5-21-70(68)71)111(200)168-82(40-54-211-4)110(199)175-87(62-181)118(207)178-51-18-32-90(178)114(203)169-79(30-16-48-154-126(143)144)108(197)174-86(112(201)172-84)57-69-60-147-65-158-69)160-95(185)39-50-148-99(188)80(35-37-93(131)183)170-115(204)91-33-19-52-179(91)119(208)92-34-20-53-180(92)117(206)83(31-17-49-155-127(145)146)171-107(196)78(29-15-47-153-125(141)142)165-105(194)76(27-13-45-151-123(137)138)166-109(198)81(36-38-94(132)184)167-106(195)77(28-14-46-152-124(139)140)164-104(193)75(26-12-44-150-122(135)136)163-103(192)74(24-8-10-42-129)162-102(191)73(23-7-9-41-128)161-101(190)72(159-96(186)58-130)25-11-43-149-121(133)134/h5-6,21-22,59-60,65-67,72-92,98,156,181-182H,7-20,23-58,61-64,128-130H2,1-4H3,(H2,131,183)(H2,132,184)(H,147,158)(H,148,188)(H,157,189)(H,159,186)(H,160,185)(H,161,190)(H,162,191)(H,163,192)(H,164,193)(H,165,194)(H,166,198)(H,167,195)(H,168,200)(H,169,203)(H,170,204)(H,171,196)(H,172,201)(H,173,202)(H,174,197)(H,175,199)(H,176,205)(H,177,187)(H,209,210)(H4,133,134,149)(H4,135,136,150)(H4,137,138,151)(H4,139,140,152)(H4,141,142,153)(H4,143,144,154)(H4,145,146,155)/t67-,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,98+/m1/s1;   InChIKey=RNELHWXSRSKXRD-QNKYCTLBSA-N;   P15-tat;   SMILES=CSCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN
 xref: PMID:17847034;   PMID:18575815;   PMID:19417160;   PMID:19439079;   PMID:20804217;   PMID:21565189;   PMID:21735096;   PMID:22407768;   PMID:24473900;   PMID:24773585;   PMID:25279177;   PMID:25546027;   Reaxys:22624592

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  CHEBI ontology 19887
    role 19858
      biological role 19856
        biochemical role 19566
          apoptosis inducer 13666
            CIGB-300 0
Path 2
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  CHEBI ontology 19887
    subatomic particle 19885
      composite particle 19885
        hadron 19885
          baryon 19885
            nucleon 19885
              atomic nucleus 19885
                atom 19885
                  main group element atom 19824
                    p-block element atom 19824
                      carbon group element atom 19763
                        carbon atom 19760
                          organic molecular entity 19760
                            heteroorganic entity 19521
                              organochalcogen compound 19282
                                organooxygen compound 19197
                                  carbon oxoacid 18676
                                    carboxylic acid 18673
                                      carboacyl group 17700
                                        univalent carboacyl group 17700
                                          carbamoyl group 17545
                                            carboxamide 17545
                                              peptide 11445
                                                cyclic peptide 8926
                                                  heterodetic cyclic peptide 1725
                                                    CIGB-300 0
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