(Q27131842)

English

Gly-Chg-Ala-Gly-Tyr-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr

chemical compound

Gly(Chg)AlaGlyTyrLys(5-GalO)GlyGluGlnGlyProLysGlyGluThr
G(Chg)AGYK(5-GalO)GEQGPKGET

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

1,694.79991±0 dalton

1 reference

language of work or name

CHEBI:62396 (English)

7 October 2016

chemical formula

C₇₂H₁₁₄N₁₈O₂₉

1 reference

language of work or name

CHEBI:62396 (English)

7 October 2016

canonical SMILES

CC(C(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CCC(CN)OC2C(C(C(C(O2)CO)O)O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)CNC(=O)C(C)NC(=O)C(C4CCCCC4)NC(=O)CN)O

1 reference

language of work or name

CHEBI:62396 (English)

7 October 2016

isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC[C@H](CN)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C4CCCCC4)NC(=O)CN)O

1 reference

language of work or name

CHEBI:62396 (English)

7 October 2016

Identifiers

InChI=1S/C72H114N18O29/c1-35(81-70(115)58(88-50(95)29-75)38-9-4-3-5-10-38)62(107)77-30-53(98)84-46(27-37-13-15-39(93)16-14-37)68(113)86-42(18-17-40(28-74)118-72-61(106)60(105)59(104)48(34-91)119-72)64(109)79-32-51(96)82-44(20-23-55(100)101)66(111)85-43(19-22-49(76)94)65(110)80-33-54(99)90-26-8-12-47(90)69(114)87-41(11-6-7-25-73)63(108)78-31-52(97)83-45(21-24-56(102)103)67(112)89-57(36(2)92)71(116)117/h13-16,35-36,38,40-48,57-61,72,91-93,104-106H,3-12,17-34,73-75H2,1-2H3,(H2,76,94)(H,77,107)(H,78,108)(H,79,109)(H,80,110)(H,81,115)(H,82,96)(H,83,97)(H,84,98)(H,85,111)(H,86,113)(H,87,114)(H,88,95)(H,89,112)(H,100,101)(H,102,103)(H,116,117)/t35-,36+,40+,41-,42-,43-,44-,45-,46-,47-,48+,57-,58-,59-,60-,61+,72+/m0/s1

1 reference

based on heuristic

inferred from SMILES

JIMNPIWZIZPZHN-NAVAQTHWSA-N

2 references

language of work or name

CHEBI:62396 (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(4S,7S,13S,16S,22S)-1-Amino-22-{[(2S)-5-amino-1-({2-[(2S)-2-({(2S)-6-amino-1-[(2-{[(2S)-4-carboxy-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]amino}-1-oxo-2-butanyl]amino}-2-oxoethyl)amino]-1-oxo-2-hexanyl} (English)

7 October 2016

2 references

language of work or name

CHEBI:62396 (English)

7 October 2016

matched by identifier from

JIMNPIWZIZPZHN-NAVAQTHWSA-N

mapping relation type

2 references

language of work or name

Gly-Chg-Ala-Gly-Tyr-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C72H114N18O29/c1-35(81-70(115)58(88-50(95)29-75)38-9-4-3-5-10-38)62(107)77-30-53(98)84-46(27-37-13-15-39(93)16-14-37)68(113)86-42(18-17-40(28-74)118-72-61(106)60(105)59(104)48(34-91)119-72)64(109)79-32-51(96)82-44(20-23-55(100)101)66(111)85-43(19-22-49(76)94)65(110)80-33-54(99)90-26-8-12-47(90)69(114)87-41(11-6-7-25-73)63(108)78-31-52(97)83-45(21-24-56(102)103)67(112)89-57(36(2)92)71(116)117/h13-16,35-36,38,40-48,57-61,72,91-93,104-106H,3-12,17-34,73-75H2,1-2H3,(H2,76,94)(H,77,107)(H,78,108)(H,79,109)(H,80,110)(H,81,115)(H,82,96)(H,83,97)(H,84,98)(H,85,111)(H,86,113)(H,87,114)(H,88,95)(H,89,112)(H,100,101)(H,102,103)(H,116,117)/t35-,36+,40+,41-,42-,43-,44-,45-,46-,47-,48+,57-,58-,59-,60-,61+,72+/m0/s1

UniChem compound ID

1 reference

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